chempirical

Methyl (3R)-3-piperidinecarboxylate

C7H13NO2CAS 164323-85-7143.19 g/mol

Open in Covalent MOL file
OONH
EsterSecondary amine

Properties

Molecular formula
C7H13NO2
Molar mass
143.19 g/mol
Exact mass
143.0946 Da
logP
0.16Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
164323-85-7
SMILES
COC(=O)[C@@H]1CCCNC1
InChIKey
BCDBHIAXYFPJCT-ZCFIWIBFSA-N
InChI
InChI=1S/C7H13NO2/c1-10-7(9)6-3-2-4-8-5-6/h6,8H,2-5H2,1H3/t6-/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • 3-Piperidinecarboxylic acid, methyl ester, (3R)-
  • 3-Piperidinecarboxylic acid, methyl ester, (R)-
  • Methyl (R)-piperidine-3-carboxylate
  • (R)-Piperidine-3-carboxylic acid methyl ester
  • (R)-Methyl piperidine-3-carboxylate
  • 3-Piperidinecarboxylic acid methyl ester (3R)-

Work with Methyl (3R)-3-piperidinecarboxylate

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

(-)-Ethyl nipecotate25137-01-365 % similar (+)-Ethyl nipecotate37675-18-665 % similar Ethyl nipecotate5006-62-265 % similar Ethyl nipecotate71962-74-865 % similar Methyl cyclohexanecarboxylate4630-82-460 % similar Methyl azetidine-3-carboxylate hydrochloride100202-39-959 % similar Methyl isonipecotate hydrochloride7462-86-456 % similar Methyl cyclopropanecarboxylate2868-37-355 % similar

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

Same formula

Ethyl (2E)-3-(dimethylamino)-2-propenoate1117-37-9 Isopropyl β-aminocrotonate14205-46-0 1,4-Dioxa-8-azaspiro[4.5]decane177-11-7 4-Aminocyclohexanecarboxylic acid1776-53-0 3,3-Diethoxypropionitrile2032-34-0 Dimethylaminoethyl acrylate2439-35-2 (αS)-α-Aminocyclopentaneacetic acid2521-84-8 (αR)-α-Aminocyclopentaneacetic acid2521-86-0

Elsewhere

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