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Basic information
- CAS
52152-47-3- Standard SMILES
COC(=O)C(NC(C)=O)C(C)C- InChIKey
KCHNPFJMSOGXIT-UHFFFAOYSA-N- Molecular formula
- C8H15NO3
- Average molar mass
- 173.212 g/mol
- Monoisotopic mass
- 173.10519334
Names & identifiers
- Preferred name
- methyl N-acetylvalinate
- IUPAC
- Methyl N-acetylvalinate
- English name
- rac-(S*)-2-(Acetylamino)-3-methylbutanoic acid methyl ester
- Molecular formula
- C8H15NO3
- Molecular weight
- 173.21
Names & synonyms
N-Acetyl-DL-valine methyl estermethyl 2-acetamido-3-methylbutanoateMETHYL 2-(ACETYLAMINO)-3-METHYLBUTANOATErac-(S*)-2-(Acetylamino)-3-methylbutanoic acid methyl ester
Database identifiers
- CAS
52152-47-3- PubChem CID
- 301593
- DTXSID
DTXSID20306733- ChEBI
CHEBI:74911- Nikkaji
- J366.939D
Properties
Physicochemical properties
- Melting point
- 58 · 58-61 °C
- Boiling point
- 275.395 · 275.395±13.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.014 · 1.014±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.697 · 14.697±0.46(predicted)
Chemistry & industry
Suppliers2 total
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Additional notes
DefinitionChEBI: Methyl N-acetylvalinate is a valine derivative with one of the amine hydrogens replaced by an acetyl group and the carboxylic acid hydrogen replaced by a methyl group. It has a role as a metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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