N-(Methoxycarbonyl)-3-methyl-L-valine
Properties
- Molecular formula
- C8H15NO4
- Molar mass
- 189.21 g/mol
- Exact mass
- 189.1001 Da
- Melting point
- 108–109 °C
- logP
- 1.05Crippen estimate
- Polar surface area
- 79.1 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 2
- Stereocentres
- Sin SMILES atom order
Hazards
Not classified as hazardous under GHS by 14 ECHA notifiers. Aggregated from 14 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
162537-11-3SMILES
COC(O)=N[C@H](C(=O)O)C(C)(C)CInChIKey
NWPRXAIYBULIEI-RXMQYKEDSA-NInChI
InChI=1S/C8H15NO4/c1-8(2,3)5(6(10)11)9-7(12)13-4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- L-Valine, N-(methoxycarbonyl)-3-methyl-
- N-(Methoxycarbonyl)-L-tert-leucine
- (S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid
- (2S)-2-[(Methoxycarbonyl)amino]-3,3-dimethylbutanoic acid
Work with N-(Methoxycarbonyl)-3-methyl-L-valine
Similar compounds
N-tert-Butoxycarbonyl-L-tert-leucine62965-35-969 % similar
N-(Methoxycarbonyl)-L-valine74761-42-554 % similar
N-[[(1,1-Dimethylethyl)amino]carbonyl]-3-methyl-L-valine101968-85-851 % similar
(alphaR)-alpha-((Methoxycarbonyl)amino)benzeneacetic acid50890-96-548 % similar
Boc-D-alanine7764-95-641 % similar
N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-D-serine86123-95-740 % similar
Boc-L-valine13734-41-340 % similar
N-[2-(S)-[(Methoxycarbonyl)amino]-3-methylbutyryl]-(5S)-5-Methyl-L-proline1335316-40-939 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds