chempirical

(S)-(+)-Nipecotic acid

C6H11NO2CAS 59045-82-8129.16 g/mol

Open in Covalent MOL file
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. Search the SDS library

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

Weigh it out

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

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 acid60252-41-7Stereo not defined Nipecotic acid498-95-3Stereo 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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