2-(4-Amino-1-(tert-butoxycarbonyl)piperidin-4-YL)acetic acid

C₁₂H₂₂N₂O₄CAS 1159983-30-8258.32 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Primary amine

Properties

Molecular formula: C₁₂H₂₂N₂O₄
Molar mass: 258.32 g/mol
Exact mass: 258.1580 Da
logP: 1.19Crippen estimate
Polar surface area: 92.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

1159983-30-8

SMILES

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

InChIKey

BGBMNGXKKOJOSX-UHFFFAOYSA-N

InChI

InChI=1S/C12H22N2O4/c1-11(2,3)18-10(17)14-6-4-12(13,5-7-14)8-9(15)16/h4-8,13H2,1-3H3,(H,15,16)

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Names and synonyms

1 names

1-Boc-4-amino-4-piperidineacetic acid

Work with 2-(4-Amino-1-(tert-butoxycarbonyl)piperidin-4-YL)acetic 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

1,1-Dimethylethyl 4-fluoro-4-(hydroxymethyl)-1-piperidinecarboxylate614730-97-153 % similar 1,1-Dimethylethyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate169206-67-152 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-951 % similar 1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-851 % similar [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-651 % similar (3S)-1-[(1,1-Dimethylethoxy)carbonyl]-3-pyrrolidineacetic acid204688-61-950 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-850 % similar 7-(1,1-Dimethylethyl) 7-azaspiro[3.5]nonane-2,7-dicarboxylate873924-12-050 % similar

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

Same formula

Methyl 4-[(1,1-dimethylethoxy)carbonyl]-2-piperazineacetate183742-33-8

Elsewhere

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