Ethyl (1R,2S)-1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenylcyclopropanecarboxylate

C₁₃H₂₁NO₄CAS 259217-95-3255.31 g/mol

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Properties

Molecular formula: C₁₃H₂₁NO₄
Molar mass: 255.31 g/mol
Exact mass: 255.1471 Da
logP: 2.22Crippen estimate
Polar surface area: 68.1 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4
Stereocentres: S, Rin SMILES atom order

Identifiers

CAS number

259217-95-3

SMILES

C=C[C@@H]1C[C@]1(N=C(O)OC(C)(C)C)C(=O)OCC

InChIKey

MUWAMLYKLZSGPE-NOZJJQNGSA-N

InChI

InChI=1S/C13H21NO4/c1-6-9-8-13(9,10(15)17-7-2)14-11(16)18-12(3,4)5/h6,9H,1,7-8H2,2-5H3,(H,14,16)/t9-,13-/m1/s1

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Names and synonyms

1 names

Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, ethyl ester, (1R,2S)-

Work with Ethyl (1R,2S)-1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenylcyclopropanecarboxylate

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

(1R,2S)-1-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-ethenylcyclopropanecarboxylic acid159622-10-369 % similar 1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid88950-64-538 % similar N-[(1,1-Dimethylethoxy)carbonyl]-2-methylalanine30992-29-137 % similar 1-tert-Butoxycarbonylaminocyclopentanecarboxylic acid35264-09-637 % similar (3R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid159991-23-836 % similar (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid34306-42-836 % similar N-[(1,1-Dimethylethoxy)carbonyl]-2-methyl-L-serine84311-19-336 % similar Ethyl 2,2-difluoropent-4-enoate110482-96-736 % similar

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

Elsewhere

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