1-[(1,1-Dimethylethoxy)carbonyl]-2-piperidinepropanoic acid

C₁₃H₂₃NO₄CAS 669713-96-6257.33 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: 2.64Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

669713-96-6

SMILES

CC(C)(C)OC(=O)N1CCCCC1CCC(=O)O

InChIKey

BRQMDBOVDLUBAI-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

3 names

2-Piperidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-
3-[1-(tert-Butoxycarbonyl)piperidin-2-yl]propanoic acid
1-Boc-2-(2-Carboxyethyl)piperidine

Work with 1-[(1,1-Dimethylethoxy)carbonyl]-2-piperidinepropanoic 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

2-((2R)-1-((tert-Butoxy)carbonyl)pyrrolidin-2-yl)acetic acid101555-60-672 % similar (2S)-1-[(1,1-Dimethylethoxy)carbonyl]-2-pyrrolidineacetic acid56502-01-372 % similar tert-Butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate118811-03-370 % similar tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-161 % similar 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-959 % similar (S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-858 % similar 1,1-Dimethylethyl (2S)-2-(aminocarbonyl)-1-pyrrolidinecarboxylate35150-07-351 % similar 1-(1,1-Dimethylethyl) 2-borono-1-pyrrolidinecarboxylate149682-75-750 % 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

Elsewhere

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