Z-N-Me-ala-OH

C₁₂H₁₅NO₄CAS 21691-41-8237.25 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₂H₁₅NO₄
Molar mass: 237.25 g/mol
Exact mass: 237.1001 Da
logP: 1.73Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

21691-41-8

SMILES

C[C@@H](C(=O)O)N(C)C(=O)OCC1=CC=CC=C1

InChIKey

QGEQKVZQPWSOTI-VIFPVBQESA-N

InChI

InChI=1S/C12H15NO4/c1-9(11(14)15)13(2)12(16)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15)/t9-/m0/s1

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Names and synonyms

1 names

Z-Meala-oh

Work with Z-N-Me-ala-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-Methyl-N-[(phenylmethoxy)carbonyl]-L-valine42417-65-273 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine84000-07-763 % similar 1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-759 % similar 1-Carbobenzoxy-4-piperidinecarboxylic Acid10314-98-456 % similar (2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid25654-52-856 % similar 1-N-Cbz-pyrrolidine-3-carboxylic acid188527-21-154 % similar N-(Benzyloxycarbonyl)-D-proline6404-31-554 % similar 1-(Phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate32159-21-053 % 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 Z-Aib-oh15030-72-5 N-(2,4-Dimethoxyphenyl)-3-oxobutanamide16715-79-0 γ-Benzyl L-glutamate1676-73-9 5-(Phenylmethyl) hydrogen D-glutamate2578-33-8 (2S)-2-[[(Phenylmethoxy)carbonyl]amino]butanoic acid42918-86-5

Elsewhere

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