O9B

(2~{R})-1-methylpiperidine-2-carboxylic acid

Created: 2020-02-24
Last modified:  2021-03-31

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count1
Bond Count23
Aromatic Bond Count0
2D diagram of O9B

Chemical Component Summary

Name(2~{R})-1-methylpiperidine-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)(2~{R})-1-methylpiperidine-2-carboxylic acid
FormulaC7 H13 N O2
Molecular Weight143.184
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CN1CCCC[CH]1C(O)=O
SMILESOpenEye OEToolkits2.0.7CN1CCCCC1C(=O)O
Canonical SMILESCACTVS3.385 CN1CCCC[C@@H]1C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CN1CCCC[C@@H]1C(=O)O
InChIInChI1.03 InChI=1S/C7H13NO2/c1-8-5-3-2-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m1/s1
InChIKeyInChI1.03 BPSLZWSRHTULGU-ZCFIWIBFSA-N

Related Resource References

Resource NameReference
PubChem 11286529, 11862129