chempirical

N-(4-Nitrobenzoyl)-L-glutamic acid

C12H12N2O7CAS 6758-40-3296.24 g/mol

Open in Covalent MOL file
OHONHON+OO−OOH
AmideCarboxylic acidNitro

Properties

Molecular formula
C12H12N2O7
Molar mass
296.24 g/mol
Exact mass
296.0645 Da
Melting point
113 °C
logP
0.64Crippen estimate
Polar surface area
146.8 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
6758-40-3
SMILES
O=C(O)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O
InChIKey
NOJZBJAFCSWMKC-VIFPVBQESA-N
InChI
InChI=1S/C12H12N2O7/c15-10(16)6-5-9(12(18)19)13-11(17)7-1-3-8(4-2-7)14(20)21/h1-4,9H,5-6H2,(H,13,17)(H,15,16)(H,18,19)/t9-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • L-Glutamic acid, N-(4-nitrobenzoyl)-
  • Glutamic acid, N-(p-nitrobenzoyl)-, L-
  • p-Nitrobenzoyl-L-glutamic acid
  • p-Nitrobenzoylglutamic acid
  • N-(p-Nitrobenzoyl)-L(+)-glutamic acid
  • NSC 17156
  • NSC 83096
  • (S)-2-(4-Nitrobenzamido)pentanedioic acid
  • (2S)-2-[(4-Nitrophenyl)formamido]pentanedioic acid

Work with N-(4-Nitrobenzoyl)-L-glutamic 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

N-(4-Aminobenzoyl)-L-glutamic acid4271-30-166 % similar N-(4-Nitrobenzoyl)-β-alanine59642-21-662 % similar 4-Nitrohippuric acid2645-07-058 % similar 3-(4-Nitrophenyl)propionic acid16642-79-851 % similar 4-Nitrobenzenebutanoic acid5600-62-449 % similar 3-Amino-3-(4-nitrophenyl)propanoic Acid102308-62-347 % similar Carbamylglutamic acid1188-38-146 % similar 4-Nitrobenzoic acid hydrazide636-97-546 % similar

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

Elsewhere

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