(2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-5-phenyl-4-pentenoic acid

C₁₆H₂₁NO₄CAS 261165-04-2291.35 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₁₆H₂₁NO₄
Molar mass: 291.35 g/mol
Exact mass: 291.1471 Da
logP: 3.27Crippen estimate
Polar surface area: 79.1 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

261165-04-2

SMILES

CC(C)(C)OC(O)=N[C@@H](CC=Cc1ccccc1)C(=O)O

InChIKey

OIMOFNCGPRURIA-ZDUSSCGKSA-N

InChI

InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-13(14(18)19)11-7-10-12-8-5-4-6-9-12/h4-10,13H,11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-phenyl-, (2S)-

Work with (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-5-phenyl-4-pentenoic acid

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-tert-Butoxycarbonyl-D-phenylalanine18942-49-966 % similar (2R)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-5-phenyl-4-pentenoic acid215190-23-161 % similar N-tert-Butoxycarbonyl-O-benzylserine23680-31-161 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-phenylalanyl-L-phenylalanine13122-90-260 % similar N-[(1,1-Dimethylethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteine21947-98-860 % similar N-tert-Butoxycarbonyl-S-benzyl-L-cysteine5068-28-060 % similar N-[(1,1-Dimethylethoxy)carbonyl]-2-methyl-L-phenylalanine114873-05-158 % similar 4-Benzoyl-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine104504-43-058 % similar

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

Same formula

(αS)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid69901-75-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook