1-(2,3-dimethylcyclopentyl)-6-oxopiperidine-3-carboxylic acid

C13H21NO3 — CID 64920899

IUPAC1-(2,3-dimethylcyclopentyl)-6-oxopiperidine-3-carboxylic acid
SMILESCC1CCC(N2CC(C(=O)O)CCC2=O)C1C
InChIInChI=1S/C13H21NO3/c1-8-3-5-11(9(8)2)14-7-10(13(16)17)4-6-12(14)15/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyXHWBLOWKFASUMZ-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.74
Rot. Bonds2

About 1-(2,3-dimethylcyclopentyl)-6-oxopiperidine-3-carboxylic acid

1-(2,3-dimethylcyclopentyl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 64920899) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclopentyl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dimethylcyclopentyl)-6-oxopiperidine-3-carboxylic acid
PubChem CID64920899
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(2,3-dimethylcyclopentyl)-6-oxopiperidine-3-carboxylic acid
SMILESCC1CCC(N2CC(C(=O)O)CCC2=O)C1C
InChIInChI=1S/C13H21NO3/c1-8-3-5-11(9(8)2)14-7-10(13(16)17)4-6-12(14)15/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyXHWBLOWKFASUMZ-UHFFFAOYSA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-6-oxopiperidine-3-carboxylic acid
CID 44827692
(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
CID 86727694
(6S,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
CID 86727879
(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
CID 129388955
1-methyl-6-oxopiperidine-3-carboxylic acid
CID 25247731
6-oxo-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid
CID 103968342
1-(2,3-dimethylcyclohexyl)azetidine-3-carboxylic acid
CID 65071889
(6R,8aS)-1-methyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-6-carboxylic acid
CID 86727704
(3S)-N'-(cyclohexanecarbonyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbohydrazide
CID 25388927
1-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62303043
6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid
CID 62086742

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclopentyl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-(2,3-dimethylcyclopentyl)-6-oxopiperidine-3-carboxylic acid (CID 64920899) is 1-(2,3-dimethylcyclopentyl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dimethylcyclopentyl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dimethylcyclopentyl)-6-oxopiperidine-3-carboxylic acid is CC1CCC(N2CC(C(=O)O)CCC2=O)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclopentyl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is XHWBLOWKFASUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-8-3-5-11(9(8)2)14-7-10(13(16)17)4-6-12(14)15/h8-11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 1-(2,3-dimethylcyclopentyl)-6-oxopiperidine-3-carboxylic acid?
1-(2,3-dimethylcyclopentyl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclopentyl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 64920899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).