chempirical

N-(Methoxycarbonyl)-L-valine

C7H13NO4CAS 74761-42-5175.18 g/mol

Open in Covalent MOL file
OONHOOH
Carboxylic acid

Properties

Molecular formula
C7H13NO4
Molar mass
175.18 g/mol
Exact mass
175.0845 Da
logP
0.66Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
74761-42-5
SMILES
COC(O)=N[C@H](C(=O)O)C(C)C
InChIKey
CEFVHPDFGLDQKU-YFKPBYRVSA-N
InChI
InChI=1S/C7H13NO4/c1-4(2)5(6(9)10)8-7(11)12-3/h4-5H,1-3H3,(H,8,11)(H,9,10)/t5-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • L-Valine, N-(methoxycarbonyl)-
  • Valine, N-carboxy-, N-methyl ester
  • (S)-2-(Methoxycarbonylamino)-3-methylbutanoic acid
  • (S)-2-Methoxycarbonylamino-3-methylbutyric acid
  • 2-(S)-[(Methoxycarbonyl)amino]-3-methylbutyric acid
  • (2S)-2-(Methoxycarbonylamino)-3-methylbutanoic acid

Work with N-(Methoxycarbonyl)-L-valine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Boc-L-valine13734-41-364 % similar N-[2-(S)-[(Methoxycarbonyl)amino]-3-methylbutyryl]-(5S)-5-Methyl-L-proline1335316-40-959 % similar N-Acetyl-D-valine17916-88-056 % similar N-Acetylvaline3067-19-456 % similar Acetylvaline96-81-156 % similar N-(Methoxycarbonyl)-3-methyl-L-valine162537-11-354 % similar Benzyloxycarbonyl-L-valine1149-26-453 % similar N-(Benzyloxycarbonyl)-dl-valine3588-63-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl L-glutamate1119-33-1 N-[Tris(hydroxymethyl)methyl]acrylamide13880-05-2 Valienamine38231-86-6 N-(tert-Butoxycarbonyl)glycine4530-20-5 2-Aminopimelic acid627-76-9 Diethyl aminomalonate6829-40-9

Elsewhere

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