(S)-(+)-Nipecotic acid

C6H11NO2CAS 59045-82-8129.16 g/mol

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HNOOH
Carboxylic acidSecondary amine

Properties

Molecular formula
C6H11NO2
Molar mass
129.16 g/mol
Exact mass
129.0790 Da
logP
0.07Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

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
59045-82-8
SMILES
C1C[C@@H](CNC1)C(=O)O
InChIKey
XJLSEXAGTJCILF-YFKPBYRVSA-N
InChI
InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1

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Names and synonyms

1 names
  • Nipecotic acid, S-(+)-

Work with (S)-(+)-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 acid25137-00-2Enantiomer Nipecotic acid498-95-3Stereo not defined Nipecotic acid60252-41-7Stereo not defined

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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