3-Piperidineacetic acid

C7H13NO2CAS 74494-52-3143.19 g/mol

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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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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)

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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 Cyclopropylacetic acid5239-82-754 % similar (3S)-Piperidin-3-ylmethanol144539-77-548 % similar 3-Piperidinemethanol4606-65-948 % similar (-)-Nipecotic acid25137-00-247 % similar Nipecotic acid498-95-347 % similar (S)-(+)-Nipecotic acid59045-82-847 % 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 2,2-Diethoxy-1-isocyanoethane15586-32-0 Methyl (3R)-3-piperidinecarboxylate164323-85-7 1,4-Dioxa-8-azaspiro(4.5)decane177-11-7 4-Aminocyclohexanecarboxylic acid1776-53-0 3,3-Diethoxypropiononitrile2032-34-0 N-(2-Hydroxypropyl)methacrylamide21442-01-3

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