chempirical

(αR)-α-[(Methoxycarbonyl)amino]benzeneacetic acid

C10H11NO4CAS 50890-96-5209.20 g/mol

Open in Covalent MOL file
OONHOOH
Carboxylic acid

Properties

Molecular formula
C10H11NO4
Molar mass
209.20 g/mol
Exact mass
209.0688 Da
logP
1.37Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
50890-96-5
SMILES
COC(O)=N[C@@H](C(=O)O)c1ccccc1
InChIKey
GOJLQSAREKTKPT-MRVPVSSYSA-N
InChI
InChI=1S/C10H11NO4/c1-15-10(14)11-8(9(12)13)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,11,14)(H,12,13)/t8-/m1/s1

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Names and synonyms

7 names
  • Benzeneacetic acid, α-[(methoxycarbonyl)amino]-, (αR)-
  • Benzeneacetic acid, α-[(methoxycarbonyl)amino]-, (R)-
  • N-Methoxycarbonyl-D-phenylglycine
  • (R)-2-(Methoxycarbonylamino)-2-phenylacetic acid
  • (R)-2-((Methoxycarbonyl)amino)-2-phenylacetic acid
  • (R)-2-(Methoxycarbonylamino)-2-phenylethanoic acid
  • (2R)-2-(Methoxycarbonylamino)-2-phenylacetic acid

Work with (αR)-α-[(Methoxycarbonyl)amino]benzeneacetic acid

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

Benzyloxycarbonyl-D-phenylglycine17609-52-864 % similar N-Acetyl-dl-phenylglycine15962-46-662 % similar α-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-hydroxybenzeneacetic acid53249-34-652 % similar (+)-Methoxyphenylacetic acid26164-26-150 % similar (-)-Methoxyphenylacetic acid3966-32-350 % similar Methoxyphenylacetic acid7021-09-250 % similar N-(Methoxycarbonyl)-L-valine74761-42-549 % similar N-(Methoxycarbonyl)-3-methyl-L-valine162537-11-348 % similar

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

Same formula

2,3-Dimethyl 5-methyl-2,3-pyridinedicarboxylate112110-16-4 N-Phenyliminodiacetic acid1137-73-1 Benzyloxycarbonylglycine1138-80-3 2-(4-Formyl-2-methoxyphenoxy)acetamide186685-89-2 Methyl 4-acetamido-2-hydroxybenzoate4093-28-1 Dimethyl 3-aminoterephthalate5372-81-6 Ethyl p-nitrophenylacetate5445-26-1 4-Nitrobenzenebutanoic acid5600-62-4

Elsewhere

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