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

C₁₂H₁₄N₂O₅CAS 4271-30-1266.25 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Primary amine

Properties

Molecular formula: C₁₂H₁₄N₂O₅
Molar mass: 266.25 g/mol
Exact mass: 266.0903 Da
Melting point: 173 °C
logP: 0.32Crippen estimate
Polar surface area: 129.7 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H317 May cause an allergic skin reaction33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

4271-30-1

SMILES

Nc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

InChIKey

GADGMZDHLQLZRI-VIFPVBQESA-N

InChI

InChI=1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(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

12 names

L-Glutamic acid, N-(4-aminobenzoyl)-
Glutamic acid, N-(p-aminobenzoyl)-, L-
Glutamic acid, N-(p-aminobenzoyl)-
N-(p-Aminobenzoyl)-L-glutamic acid
(p-Aminobenzoyl)glutamic acid
(p-Aminobenzoyl)-L-glutamic acid
N-(p-Aminobenzoyl)glutamic acid
N-(p-Aminobenzoyl)-L(+)-glutamic acid
(4-Aminobenzoyl)-L-glutamic acid
NSC 71042
(2S)-2-[(4-Aminobenzoyl)amino]pentanedioic acid
(S)-2-(4-Aminobenzamido)pentanedioicacid

Work with N-(4-Aminobenzoyl)-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

Bz-glu-oh6094-36-674 % similar N-(4-Nitrobenzoyl)-L-glutamic acid6758-40-366 % similar N-(4-Aminobenzoyl)-beta-alanine7377-08-458 % similar p-Aminohippuric acid61-78-953 % similar Carbamylglutamic acid1188-38-151 % similar Z-D-Glu-oh63648-73-751 % similar Aminopterin54-62-649 % similar Diethyl N-(4-aminobenzoyl)-L-glutamate13726-52-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N2-[(Phenylmethoxy)carbonyl]-L-asparagine2304-96-3 Carbobenzoxyglycylglycine2566-19-0 Z-Dl-asparagine29880-22-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook