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C₁₂H₁₅NO₄CAS 15030-72-5237.25 g/mol

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Carbamate Carboxylic acid

Properties

Molecular formula: C₁₂H₁₅NO₄
Molar mass: 237.25 g/mol
Exact mass: 237.1001 Da
logP: 1.78Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
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, 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

15030-72-5

SMILES

CC(C)(C(=O)O)NC(=O)OCC1=CC=CC=C1

InChIKey

QKVCSJBBYNYZNM-UHFFFAOYSA-N

InChI

InChI=1S/C12H15NO4/c1-12(2,10(14)15)13-11(16)17-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,16)(H,14,15)

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Names and synonyms

1 names

N-((Benzyloxy)carbonyl)-2-methylalanine

Work with Z-Aib-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

(S)-2-(((Benzyloxy)carbonyl)amino)-3-hydroxy-2-methylpropanoic acid114396-70-268 % similar Benzyl (1-(hydroxymethyl)cyclopropyl)carbamate103500-22-757 % similar 4-Benzyloxycarbonylamino-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester288154-16-556 % similar Cbz-L-tert-leucine62965-10-054 % similar 2-(((Benzyloxy)carbonyl)amino)-2-hydroxyacetic acid56538-57-952 % similar Benzyl N-(2-hydroxyethyl)carbamate77987-49-651 % similar N-Cbz-D-alanine26607-51-251 % similar N-Alfa-Cbz-O-t-butyl-D-serine65806-90-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid103733-66-0 Boc-3-aminobenzoic acid111331-82-9 L-Glutamic acid alpha-benzyl ester13030-09-6 N-(2,4-Dimethoxyphenyl)-3-oxobutanamide16715-79-0 γ-Benzyl L-glutamate1676-73-9 Z-N-Me-ala-OH21691-41-8 5-(Phenylmethyl) hydrogen D-glutamate2578-33-8 Z-Ala-ome28819-05-8

Elsewhere

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