(2r)-2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide (CED0046382)

Record Information

Version

1.0

Creation Date

2026-08-25 15:37:01 UTC

Update Date

2026-08-25 15:37:01 UTC

Accession Number

CHEM266758

Identification

Common Name

(2r)-2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide

Class

Small Molecule

Description

(2r)-2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C9H19NO4 and an average molecular weight of 205.25 g/mol. The compound is associated with six recorded sources across various categories. Within electrical and electronic equipment, it is found in amplifiers and still video cameras. In the context of food, food processing and cookware, it is released during the processing of meats and the preparation of vinegar. Additionally, it is identified in household cleaning and consumer products, specifically in soap dispensers and non electric simulated smoking devices.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₁₉NO₄

Average Molecular Mass

205.250 g/mol

Monoisotopic Mass

205.131 g/mol

CAS Registry Number

81-13-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1

InChI Key

SNPLKNRPJHDVJA-ZETCQYMHSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum	splash10-0f8a-1921000000-f1d6cd175435f0634e26	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0ar9-0940000000-60184a3322815ca33b8c	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0ul0-6900000000-954514bfa59a23c86e49	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0290000000-3a41e17463410b272ba9	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0910000000-f4e5bccdc9f16d066c3c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0c09-0940000000-957d784682c5b786cb11	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00dl-9000000000-fc130a0609407475144e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0596-9000000000-bcd1d5b3be9fdf8105bc	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0uk9-9370000000-88598ab464361c07f25f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-9100000000-76ccd81fe29004cee865	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-1390000000-0d6e354c8473142b3111	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4l-9000000000-b9b62101616994f3a89a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0090000000-5b67146f56e988aeee48	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a6r-7690000000-9d817761ffdabbb1ecf6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a6r-9570000000-3c2212a2280ff04d77dc	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0ar3-9000000000-3429856c34a930d2beb6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0012-8920000000-ad3538f4688a6b2dcf9b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-9500000000-160357a35e76b8ed0afd	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0940000000-90f10f041a5be79e5899	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-05di-9300000000-904bc715f5d527084925	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-9100000000-3437bf2464c6847a614e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-9000000000-d3bd6e1c06e48e78b502	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-05g0-9510000000-d2d9fa108eddb07460c9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-05fr-9300000000-1f91c942e9bdd6b42509	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-c8a05e05963f03822948	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-2950000000-1783767ddbab04af52e8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-5900000000-a70488ad2a04bfe4c1b2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-9200000000-09e799aa2d7432cd4670	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-3390000000-b4edf6f7542e2777ef5f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9200000000-7b2930b3e311cd0b08c1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4l-9000000000-c9bed78704f02ea6f7ea	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-3190000000-cf1eb0adc6af33ccd211	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00dl-9100000000-ecfcc7613f38e3982719	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00dl-9000000000-78f6619c4d8c33412f62	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
7004.0	Log mg/kg	[3900:12000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
505	Amplifiers	Electrical & Electronic Equipment	Not Available
534	Still Video Cameras	Electrical & Electronic Equipment	Not Available
548	Preparation Of Vinegar	Food, food processing & cookware	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
559	Non Electric Simulated Smoking Devices	Household cleaning & consumer products	Not Available
564	Soap Dispensers	Household cleaning & consumer products	Not Available
577	Watch Chains	Household items	Not Available
592	Marine Propulsion Or Steering	Marine, shipping & aquaculture	Not Available
597	Chemosterilants	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available
616	Face Mask Cosmetics	Personal care & cosmetics	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
651	Purses Money Bags Wallets	Textiles, leather & furnishings	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available
658	Touch Fasteners	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Pantothenate kinase, putative	Q8ILP4	Plasmodium falciparum (isolate 3D7)	Predicted (SEA)	32.6188
Click to view 3D structure	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	3647.55
Click to view 3D structure	Beta-2 adrenergic receptor	Q28044	Bos taurus	Predicted (SEA)	641.711
Click to view 3D structure	Lysosomal alpha-glucosidase	Q6P7A9	Rattus norvegicus	Predicted (SEA)	59.3211
Click to view 3D structure	Serine protease 1	P00760	Bos taurus	Predicted (SEA)	5071.72
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	7602.6
Click to view 3D structure	Prothrombin	P00735	Bos taurus	Predicted (SEA)	6150.01
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P28570	Rattus norvegicus	Predicted (SEA)	50.2127
Click to view 3D structure	Beta-1 adrenergic receptor	P18090	Rattus norvegicus	Predicted (SEA)	5163.82
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Predicted (SEA)	7526.23
Click to view 3D structure	Plasminogen	P00747	Humans	Predicted (SEA)	7199.89
Click to view 3D structure	Troponin C, slow skeletal and cardiac muscles	P63316	Humans	Predicted (SEA)	359.118
Click to view 3D structure	Glucosylceramidase	Q2KHZ8	Bos taurus	Predicted (SEA)	18.7617
Click to view 3D structure	Serine protease 1	P07477	Humans	Predicted (SEA)	7124.45
Click to view 3D structure	Excitatory amino acid transporter 3	P51907	Rattus norvegicus	Predicted (SEA)	230.2
Click to view 3D structure	CAI-1 autoinducer sensor kinase/phosphatase CqsS	Q9KM66	Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)	Predicted (SEA)	152.662
Click to view 3D structure	Vitamin D3 receptor	P11473	Humans	Predicted (SEA)	6554.67
Click to view 3D structure	Cathepsin B	P07858	Humans	Predicted (SEA)	7540.63
Click to view 3D structure	Beta-1 adrenergic receptor	B0FL73	Cavia porcellus	Predicted (SEA)	4484.43
Click to view 3D structure	Ceramide synthase 1	P27545	Mus musculus	Predicted (SEA)	1079.46
Click to view 3D structure	Ceramide synthase 4	Q9HA82	Humans	Predicted (SEA)	1079.46
Click to view 3D structure	Ceramide synthase 6	Q6ZMG9	Humans	Predicted (SEA)	1079.46
Click to view 3D structure	Ceramide synthase 2	Q924Z4	Mus musculus	Predicted (SEA)	1079.46
Click to view 3D structure	Ceramide synthase 5	Q9D6K9	Mus musculus	Predicted (SEA)	1079.46
Click to view 3D structure	Ceramide synthase 1	P27544	Humans	Predicted (SEA)	1079.46