2-methyl-1-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid

C12H19NO3 — CID 82235080

IUPAC2-methyl-1-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(C(=O)O)N1CCCC1=O
InChIInChI=1S/C12H19NO3/c1-9-5-2-3-7-12(9,11(15)16)13-8-4-6-10(13)14/h9H,2-8H2,1H3,(H,15,16)
InChIKeyBIWQUINHRGTPMO-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.64
Rot. Bonds2

About 2-methyl-1-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid

2-methyl-1-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 82235080) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-1-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID82235080
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-methyl-1-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(C(=O)O)N1CCCC1=O
InChIInChI=1S/C12H19NO3/c1-9-5-2-3-7-12(9,11(15)16)13-8-4-6-10(13)14/h9H,2-8H2,1H3,(H,15,16)
InChIKeyBIWQUINHRGTPMO-UHFFFAOYSA-N
XLogP1.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-tert-butyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
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9-methylspiro[3.5]nonan-3-one
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1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid
CID 83906995
2-(1-hydroxy-2-methylcyclohexyl)-3-methylbutanoic acid
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2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
CID 64756445
ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
CID 117066918
(1R,10S,11R,12S)-12-hydroxy-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one
CID 70679860

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid (CID 82235080) is 2-methyl-1-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid is CC1CCCCC1(C(=O)O)N1CCCC1=O.
What is the InChIKey of 2-methyl-1-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is BIWQUINHRGTPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-5-2-3-7-12(9,11(15)16)13-8-4-6-10(13)14/h9H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-methyl-1-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
2-methyl-1-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82235080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).