chempirical

(2S)-1-((tert-Butoxy)carbonyl)piperidine-2-carboxylic acid

C11H19NO4CAS 26250-84-0229.28 g/mol

Open in Covalent MOL file
OONOOH
CarbamateCarboxylic 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
26250-84-0
SMILES
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)O
InChIKey
JQAOHGMPAAWWQO-QMMMGPOBSA-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-/m0/s1

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Names and synonyms

1 names
  • (S)-1-Boc-piperidine-2-carboxylic acid

Work with (2S)-1-((tert-Butoxy)carbonyl)piperidine-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

Similar compounds

Boc-L-proline15761-39-492 % similar 1-[(tert-Butoxy)carbonyl]azetidine-2-carboxylic acid159749-28-781 % similar Boc-D-azetidine-2-carboxylic acid228857-58-781 % 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 1-Boc-2-piperazinecarboxylic acid1214196-85-664 % similar (S)-Tetrahydropyridazine-1,2,3-tricarboxylic acid 1,2-di-tert-butyl ester156699-39-764 % 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-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-9 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

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