1-Boc-2-piperazinecarboxylic acid

C10H18N2O4CAS 1214196-85-6230.26 g/mol

Open in Covalent MOL file
OONNHOHO
CarbamateCarboxylic acidSecondary 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 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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
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)

Weigh it out

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

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

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.

(R)-4-Boc-piperazine-3-carboxylic acid278788-60-6Defined stereoisomer

Similar compounds

1-[(tert-Butoxy)carbonyl]azetidine-2-carboxylic acid159749-28-768 % similar Boc-D-azetidine-2-carboxylic acid228857-58-768 % similar 1-Boc-L-azetidine-2-carboxylic acid51077-14-668 % similar 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate129799-15-167 % similar (S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester796096-64-567 % similar Boc-L-proline15761-39-465 % similar (2R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid37784-17-165 % similar 1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid59433-50-065 % 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 4-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-4-oxo-butyric acid717904-43-3 (S)-4-N-Boc-piperazine-2-carboxylic acid848482-93-9 Di-tert-butyl azodicarboxylate870-50-8

Elsewhere

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