(R)-(-)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine

C₁₅H₁₁N₃O₇CAS 74927-72-3345.27 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Nitro

Properties

Molecular formula: C₁₅H₁₁N₃O₇
Molar mass: 345.27 g/mol
Exact mass: 345.0597 Da
logP: 2.06Crippen estimate
Polar surface area: 152.7 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

74927-72-3

SMILES

C1=CC=C(C=C1)[C@H](C(=O)O)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChIKey

MIVUDAUOXJDARR-CYBMUJFWSA-N

InChI

InChI=1S/C15H11N3O7/c19-14(16-13(15(20)21)9-4-2-1-3-5-9)10-6-11(17(22)23)8-12(7-10)18(24)25/h1-8,13H,(H,16,19)(H,20,21)/t13-/m1/s1

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Names and synonyms

1 names

N-(3,5-Dinitrobenzoyl)phenylglycine

Work with (R)-(-)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine90761-62-9Enantiomer

Similar compounds

(R)-(-)-N-(3,5-Dinitrobenzoyl)-alpha-phenylethylamine69632-32-267 % similar N-(4-Nitrobenzoyl)-L-glutamic acid6758-40-347 % similar 3,5-Dinitrobenzoic acid99-34-346 % similar Z-Phg-oh53990-33-343 % similar 2-(4-Nitrophenyl)propionic acid19910-33-943 % similar 4′-Nitrobenzanilide3393-96-243 % similar 3,5-Dinitrobenzamide121-81-343 % similar 5-Nitroisophthalic acid618-88-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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