chempirical

(R)-4-Boc-piperazine-3-carboxylic acid

C10H18N2O4CAS 278788-60-6230.26 g/mol

Open in Covalent MOL file
OONNHOOH
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
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
278788-60-6
SMILES
CC(C)(C)OC(=O)N1CCNC[C@@H]1C(=O)O
InChIKey
MPOFEHGMWPHBSF-SSDOTTSWSA-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)/t7-/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • (2R)-1-(tert-Butoxycarbonyl)piperazine-2-carboxylic acid

Work with (R)-4-Boc-piperazine-3-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.

1-Boc-2-piperazinecarboxylic acid1214196-85-6Stereo not defined

Similar compounds

1-[(tert-Butoxy)carbonyl]azetidine-2-carboxylic acid159749-28-768 % similar Boc-D-azetidine-2-carboxylic acid228857-58-768 % similar 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate129799-15-167 % similar Boc-L-proline15761-39-465 % similar (2R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid37784-17-165 % similar 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-964 % similar (2S)-1-((tert-Butoxy)carbonyl)piperidine-2-carboxylic acid26250-84-064 % similar (R)-(+)-N-Boc-2-piperidinecarboxylic acid28697-17-864 % 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

PubChem CAS Common Chemistry NIST WebBook