1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid

C12H19NO3 — CID 2967410

IUPAC1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC1CCC(N2CC(C(=O)O)CC2=O)CC1
InChIInChI=1S/C12H19NO3/c1-8-2-4-10(5-3-8)13-7-9(12(15)16)6-11(13)14/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyBJIQLSRXOWUKSC-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.50
Rot. Bonds2

About 1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 2967410) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID2967410
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC1CCC(N2CC(C(=O)O)CC2=O)CC1
InChIInChI=1S/C12H19NO3/c1-8-2-4-10(5-3-8)13-7-9(12(15)16)6-11(13)14/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyBJIQLSRXOWUKSC-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexyl-5-oxopyrrolidine-3-carboxylic acid
CID 238546
1-Cycloheptyl-5-oxopyrrolidine-3-carboxylic acid
CID 3238408
1-Dodecyl-5-oxopyrrolidine-3-carboxylic acid
CID 111996
1-(1-Ethylpropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4778108
1-Octyl-5-oxopyrrolidine-3-carboxylic acid
CID 94089
1-Octadecyl-5-oxopyrrolidine-3-carboxylic acid
CID 111995
1-(2,3-Dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4961702
1-Hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 3031549
1-Cyclooctyl-5-oxopyrrolidine-3-carboxylic acid
CID 5124264
1-Hexadecyl-5-oxopyrrolidine-3-carboxylic acid
CID 54217949
1-(3-Cyclohexylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79363784
2,2-dimethylpropyl (3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate
CID 99805802

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid (CID 2967410) is 1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid is CC1CCC(N2CC(C(=O)O)CC2=O)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is BJIQLSRXOWUKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8-2-4-10(5-3-8)13-7-9(12(15)16)6-11(13)14/h8-10H,2-7H2,1H3,(H,15,16).
What are the key properties of 1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 2967410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).