N-4-Cbz-2-piperazinecarboxylic acid

C₁₃H₁₆N₂O₄CAS 64172-98-1264.28 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Secondary amine

Properties

Molecular formula: C₁₃H₁₆N₂O₄
Molar mass: 264.28 g/mol
Exact mass: 264.1110 Da
logP: 0.68Crippen estimate
Polar surface area: 78.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

64172-98-1

SMILES

C1CN(CC(N1)C(=O)O)C(=O)OCC2=CC=CC=C2

InChIKey

ARLOIFJEXPDJGV-UHFFFAOYSA-N

InChI

InChI=1S/C13H16N2O4/c16-12(17)11-8-15(7-6-14-11)13(18)19-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,16,17)

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Names and synonyms

1 names

4-((Benzyloxy)carbonyl)piperazine-2-carboxylic acid

Work with N-4-Cbz-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

3-Methyl 1-(phenylmethyl) 1,3-piperazinedicarboxylate129799-11-769 % similar 1-N-Cbz-pyrrolidine-3-carboxylic acid188527-21-165 % similar Phenylmethyl (3S)-3-methyl-1-piperazinecarboxylate612493-87-565 % similar 1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-764 % similar 1-[(Benzyloxy)carbonyl]-3-piperidinecarboxylic acid78190-11-163 % similar (S)-Piperidine-1,3-dicarboxylic acid 1-benzyl ester88466-74-463 % similar 1-Carbobenzoxy-4-piperidinecarboxylic Acid10314-98-461 % similar Benzyl piperazine-1-carboxylate31166-44-659 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylacetylglutamine28047-15-6

Elsewhere

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