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

Hazards

Warning

H315 Causes skin irritation12.8% of notifiers
H317 May cause an allergic skin reaction87.2% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation12.8% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-4-N-Boc-piperazine-2-carboxylic acid848482-93-9Defined stereoisomer

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 (S)-4-N-Boc-2-methylpiperazine147081-29-663 % similar (R)-4-Boc-2-methylpiperazine163765-44-463 % similar (R)-3-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester278788-66-262 % similar 4-N-Boc-2-hydroxymethylpiperazine301673-16-562 % 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 (R)-4-Boc-piperazine-3-carboxylic acid278788-60-6 4-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-4-oxo-butyric acid717904-43-3 Di-tert-butyl azodicarboxylate870-50-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook