Acetylvaline
Properties
- Molecular formula
- C7H13NO3
- Molar mass
- 159.18 g/mol
- Exact mass
- 159.0895 Da
- Melting point
- 144–146 °C
- logP
- 1.07Crippen estimate
- Polar surface area
- 69.9 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 3
- Stereocentres
- Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
96-81-1SMILES
CC(O)=N[C@H](C(=O)O)C(C)CInChIKey
IHYJTAOFMMMOPX-LURJTMIESA-NInChI
InChI=1S/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)/t6-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- L-Valine, N-acetyl-
- Valine, N-acetyl-, L-
- N-Acetyl-L-valine
- N-Acetylvaline
- L-N-Acetylvaline
- (S)-2-Acetamido-3-methylbutanoic acid
- (2S)-2-Acetamido-3-methylbutanoic acid
Work with Acetylvaline
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
N-Acetyl-L-isoleucine3077-46-162 % similar
N-Acetylalanine1115-69-160 % similar
N-Acetyl-D-alanine19436-52-360 % similar
N-Acetyl-L-alanine97-69-860 % similar
N-(Methoxycarbonyl)-L-valine74761-42-556 % similar
Glycyl-L-valine1963-21-954 % similar
N-(2-Chloroacetyl)-L-valine2279-16-554 % similar
Glycyl-DL-valine2325-17-954 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds