(R)-(+)-N-Boc-2-piperidinecarboxylic acid

C₁₁H₁₉NO₄CAS 28697-17-8229.28 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₁H₁₉NO₄
Molar mass: 229.28 g/mol
Exact mass: 229.1314 Da
logP: 1.86Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

28697-17-8

SMILES

CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)O

InChIKey

JQAOHGMPAAWWQO-MRVPVSSYSA-N

InChI

InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1

Weigh it out

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

Names and synonyms

1 names

(2R)-1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid

Work with (R)-(+)-N-Boc-2-piperidinecarboxylic 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.

(2S)-1-((tert-Butoxy)carbonyl)piperidine-2-carboxylic acid26250-84-0Enantiomer 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-9Stereo not defined

Similar compounds

Boc-L-proline15761-39-492 % similar (2R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid37784-17-192 % similar 1-[(tert-Butoxy)carbonyl]azetidine-2-carboxylic acid159749-28-781 % similar Boc-D-azetidine-2-carboxylic acid228857-58-781 % similar tert-Butyl 2-carbamoylpiperidine-1-carboxylate388077-74-567 % similar 1-tert-Butyl 2-methyl piperidine-1,2-dicarboxylate167423-93-065 % similar 4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid212650-43-665 % similar 1,1-Dimethylethyl (2S)-2-(aminocarbonyl)-1-pyrrolidinecarboxylate35150-07-365 % similar

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

Same formula

2-((2R)-1-((tert-Butoxy)carbonyl)pyrrolidin-2-yl)acetic acid101555-60-6 (S)-(-)-3-tert-Butoxycarbonyl-4-formyl-2,2-dimethyl-1,3-oxazolidine102308-32-7 (2S)-1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid103336-06-7 L-Glutamic acid 5-cyclohexyl ester112471-82-6 1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate122684-33-7 Methyl cis-3-(boc-amino)C...142733-63-9 (αS)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclobutaneacetic acid155905-77-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook