chempirical

3-Piperidineacetic acid

C7H13NO2CAS 74494-52-3143.19 g/mol

Open in Covalent MOL file
OHONH
Carboxylic acidSecondary amine

Properties

Molecular formula
C7H13NO2
Molar mass
143.19 g/mol
Exact mass
143.0946 Da
Melting point
276–278 °C
logP
0.46Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
74494-52-3
SMILES
O=C(O)CC1CCCNC1
InChIKey
WKXRHAACRPUBIC-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2/c9-7(10)4-6-2-1-3-8-5-6/h6,8H,1-5H2,(H,9,10)

Weigh it out

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

Names and synonyms

3 names
  • NSC 138735
  • (Piperidin-3-yl)acetic acid
  • 2-(Piperidin-3-yl)acetic acid

Work with 3-Piperidineacetic 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

Cyclopentaneacetic acid1123-00-861 % similar Cyclohexaneacetic acid5292-21-759 % similar 3-Piperidinemethanol4606-65-948 % similar (-)-Nipecotic acid25137-00-247 % similar Nipecotic acid498-95-347 % similar Nipecotic acid60252-41-747 % similar Cypionic acid140-77-244 % similar 3-(Aminomethyl)piperidine23099-21-044 % 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 Methyl (3R)-3-piperidinecarboxylate164323-85-7 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

Elsewhere

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