1-Boc-2-piperazinecarboxylic acid

C₁₀H₁₈N₂O₄CAS 1214196-85-6230.26 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

1214196-85-6

SMILES

CC(C)(C)OC(=O)N1CCNCC1C(=O)O

InChIKey

MPOFEHGMWPHBSF-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

1-Boc-piperazine-2-carboxylic acid

Work with 1-Boc-2-piperazinecarboxylic 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-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate129799-15-167 % similar 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-964 % similar tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-263 % similar 1,1-Dimethylethyl (2S)-2-methyl-1-piperazinecarboxylate169447-70-563 % similar 4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid212650-43-662 % similar 1,1-Dimethylethyl (2R)-2-ethyl-1-piperazinecarboxylate393781-70-960 % similar 1-(1,1-Dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate84348-37-858 % similar 1,1-Dimethylethyl (2S)-2-(2-methylpropyl)-1-piperazinecarboxylate674792-06-457 % similar

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

Same formula

4-[(tert-Butoxy)carbonyl]piperazine-2-carboxylic acid128019-59-0 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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