MHV

4-OXO-L-PIPECOLIC ACID

Created: 2010-07-15
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count1
Bond Count19
Aromatic Bond Count0
2D diagram of MHV

Chemical Component Summary

Name4-OXO-L-PIPECOLIC ACID
Systematic Name (OpenEye OEToolkits)(2S)-4-oxopiperidine-2-carboxylic acid
FormulaC6 H9 N O3
Molecular Weight143.141
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C1NCCC(=O)C1
SMILESCACTVS3.352OC(=O)[CH]1CC(=O)CCN1
SMILESOpenEye OEToolkits1.6.1C1CNC(CC1=O)C(=O)O
Canonical SMILESCACTVS3.352 OC(=O)[C@@H]1CC(=O)CCN1
Canonical SMILESOpenEye OEToolkits1.6.1 C1CN[C@@H](CC1=O)C(=O)O
InChIInChI1.03 InChI=1S/C6H9NO3/c8-4-1-2-7-5(3-4)6(9)10/h5,7H,1-3H2,(H,9,10)/t5-/m0/s1
InChIKeyInChI1.03 UAISREBYDOFHJY-YFKPBYRVSA-N

Related Resource References

Resource NameReference
PubChem 11062499, 26183538