3-(1-((tert-Butoxy)carbonyl)piperidin-4-yl)propanoic acid

C₁₃H₂₃NO₄CAS 154775-43-6257.33 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₃H₂₃NO₄
Molar mass: 257.33 g/mol
Exact mass: 257.1627 Da
logP: 2.50Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

154775-43-6

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)O

InChIKey

XWZDPNBLQJCKNC-UHFFFAOYSA-N

InChI

InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-8-6-10(7-9-14)4-5-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)

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Names and synonyms

1 names

1-Boc-piperidin-4-ylpropionic acid

Work with 3-(1-((tert-Butoxy)carbonyl)piperidin-4-yl)propanoic 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

(3S)-1-[(1,1-Dimethylethoxy)carbonyl]-3-pyrrolidineacetic acid204688-61-969 % similar N-Boc-4-piperidinemethanol123855-51-665 % similar 4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-260 % similar [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-660 % similar tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-658 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-756 % similar 2-(4-Amino-1-(tert-butoxycarbonyl)piperidin-4-YL)acetic acid1159983-30-854 % similar (2S)-1-[(1,1-Dimethylethoxy)carbonyl]-2-pyrrolidineacetic acid56502-01-354 % similar

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

Same formula

N-(tert-Butoxycarbonyl)-L-cyclohexylglycine109183-71-3 Ethyl 1-boc-3-piperidinecarboxylate130250-54-3 1-tert-Butyl 4-ethyl piperidine-1,4-dicarboxylate142851-03-4 Methyl cis-4-(boc-amino)cyclohexanecarboxylate146307-51-9 (1r,4r)-4-((((tert-Butoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acid162046-58-4 tert-Butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate175213-46-4 1-[(1,1-Dimethylethoxy)carbonyl]-2-piperidinepropanoic acid669713-96-6

Elsewhere

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