Nipecotic acid

C6H11NO2CAS 498-95-3129.16 g/mol

Open in Covalent MOL file
OHONH
Carboxylic acidSecondary amine

Properties

Molecular formula
C6H11NO2
Molar mass
129.16 g/mol
Exact mass
129.0790 Da
Melting point
261 °C (decomposes)
logP
0.07Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
498-95-3
SMILES
O=C(O)C1CCCNC1
InChIKey
XJLSEXAGTJCILF-UHFFFAOYSA-N
InChI
InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)

Weigh it out

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

Names and synonyms

6 names
  • 3-Piperidinecarboxylic acid
  • Hexahydronicotinic acid
  • 3-Carboxypiperidine
  • (±)-Nipecotic acid
  • (±)-β-Homoproline
  • DL-Nipecotic acid

Work with Nipecotic 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.

(-)-Nipecotic acid25137-00-2Defined stereoisomer (S)-(+)-Nipecotic acid59045-82-8Defined stereoisomer Nipecotic acid60252-41-7

Similar compounds

3-Pyrrolidinecarboxylic acid59378-87-977 % similar (S)-Pyrrolidine-3-carboxylic acid72580-53-177 % similar (3R)-3-Pyrrolidinecarboxylic acid72580-54-277 % similar 3-Azetidinecarboxylic acid36476-78-562 % similar Cyclopentanecarboxylic acid3400-45-158 % similar Cyclobutanecarboxylic acid3721-95-758 % similar Isonipecotic acid498-94-257 % similar 3-Piperidinecarboxamide4138-26-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

L-Cyclopropylalanine102735-53-5 D-Cyclopropylalanine121786-39-8 4,4-Dimethoxybutanenitrile14618-78-1 N-Acetylmorpholine1696-20-4 (4S)-(-)-4-Isopropyl-2-oxazolidinone17016-83-0 (+)-Pipecolic acid1723-00-8 Dimethylacetoacetamide2044-64-6

Elsewhere

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