(S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-2-cyclopentylacetic acid

C₁₆H₂₁NO₄CAS 2411591-78-9291.35 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₆H₂₁NO₄
Molar mass: 291.35 g/mol
Exact mass: 291.1471 Da
logP: 2.90Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

2411591-78-9

SMILES

CN([C@@H](C1CCCC1)C(=O)O)C(=O)OCC2=CC=CC=C2

InChIKey

SAQMJYWIEHSMLG-AWEZNQCLSA-N

InChI

InChI=1S/C16H21NO4/c1-17(14(15(18)19)13-9-5-6-10-13)16(20)21-11-12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11H2,1H3,(H,18,19)/t14-/m0/s1

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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-valine42417-65-274 % similar Z-N-Me-ala-OH21691-41-867 % similar Cbz-N-methyl-L-phenylalanine2899-07-265 % similar N-Cbz-N-methyl-L-leucine33099-08-062 % similar 1-Cbz-2-piperidinecarboxylic acid28697-07-658 % similar (D)-N-(Benzyloxycarbonyl)pipecolic acid28697-09-858 % similar Benzyloxycarbonyl-L-proline1148-11-456 % similar N-(Benzyloxycarbonyl)-D-proline6404-31-556 % similar

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

Same formula

(2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-5-phenyl-4-pentenoic acid261165-04-2 (αS)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid69901-75-3

Elsewhere

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