4-[(tert-Butoxy)carbonyl]piperazine-2-carboxylic acid

C₁₀H₁₈N₂O₄CAS 128019-59-0230.26 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Secondary amine

Properties

Molecular formula: C₁₀H₁₈N₂O₄
Molar mass: 230.26 g/mol
Exact mass: 230.1267 Da
logP: 0.28Crippen estimate
Polar surface area: 78.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Identifiers

CAS number

128019-59-0

SMILES

CC(C)(C)OC(=O)N1CCNC(C1)C(=O)O

InChIKey

YRYAXQJXMBETAT-UHFFFAOYSA-N

InChI

InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-5-4-11-7(6-12)8(13)14/h7,11H,4-6H2,1-3H3,(H,13,14)

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Names and synonyms

1 names

N-4-Boc-2-piperazinecarboxylic acid

Work with 4-[(tert-Butoxy)carbonyl]piperazine-2-carboxylic 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-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate129799-08-267 % similar 1-(1,1-Dimethylethyl) 3-methyl (3S)-1,3-piperazinedicarboxylate314741-39-467 % similar 1-(1,1-Dimethylethyl) 3-methyl (3R)-1,3-piperazinedicarboxylate438631-77-767 % similar tert-Butyl 3-methylpiperazine-1-carboxylate120737-59-963 % similar 1,1-Dimethylethyl (3S)-3-(hydroxymethyl)-1-piperazinecarboxylate314741-40-762 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-pyrrolidinedicarboxylate72925-16-761 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-360 % similar 1-Boc-azetidine-3-carboxylic acid142253-55-260 % similar

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

Same formula

1-Boc-2-piperazinecarboxylic acid1214196-85-6 1,1′-Dimethyl 2,2′-(1,2-diazenediyl)bis[2-methylpropanoate]2589-57-3 Di-tert-butyl azodicarboxylate870-50-8

Elsewhere

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