Bz-glu-oh

C₁₂H₁₃NO₅CAS 6094-36-6251.24 g/mol

Open in Covalent MOL file

Amide Carboxylic acid

Properties

Molecular formula: C₁₂H₁₃NO₅
Molar mass: 251.24 g/mol
Exact mass: 251.0794 Da
logP: 0.73Crippen estimate
Polar surface area: 103.7 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6094-36-6

SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChIKey

LPJXPACOXRZCCP-VIFPVBQESA-N

InChI

InChI=1S/C12H13NO5/c14-10(15)7-6-9(12(17)18)13-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15)(H,17,18)/t9-/m0/s1

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Names and synonyms

1 names

N-Benzoyl-L-glutamic acid

Work with Bz-glu-oh

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 acid4271-30-174 % similar N-(4-Nitrobenzoyl)-L-glutamic acid6758-40-367 % similar Z-D-Glu-oh63648-73-760 % similar Carbamylglutamic acid1188-38-155 % similar (+)-cis-2-Benzamidocyclohexanecarboxylic acid26685-82-554 % similar (-)-cis-2-Benzamidocyclohexanecarboxylic acid26693-55-054 % similar Fmoc-L-glutamic acid121343-82-654 % similar Benzoyl-dl-valine2901-80-651 % similar

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

Elsewhere

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