1-cyclooctyl-5-oxopyrrolidine-3-carboxylic acid

C13H21NO3 — CID 5124264

IUPAC1-cyclooctyl-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(C2CCCCCCC2)C1
InChIInChI=1S/C13H21NO3/c15-12-8-10(13(16)17)9-14(12)11-6-4-2-1-3-5-7-11/h10-11H,1-9H2,(H,16,17)
InChIKeyCKUDLTYVRYZFGB-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.03
Rot. Bonds2

About 1-cyclooctyl-5-oxopyrrolidine-3-carboxylic acid

1-cyclooctyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 5124264) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-cyclooctyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclooctyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID5124264
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-cyclooctyl-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(C2CCCCCCC2)C1
InChIInChI=1S/C13H21NO3/c15-12-8-10(13(16)17)9-14(12)11-6-4-2-1-3-5-7-11/h10-11H,1-9H2,(H,16,17)
InChIKeyCKUDLTYVRYZFGB-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclooctyl-5-oxopyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Oxo-1-(propan-2-yl)pyrrolidine-3-carboxylic acid
CID 3151004
1-Cyclohexyl-5-oxopyrrolidine-3-carboxylic acid
CID 238546
1-Sec-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950
1-Cyclopentyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777956
1-Cycloheptyl-5-oxopyrrolidine-3-carboxylic acid
CID 3238408
1-Dodecyl-5-oxopyrrolidine-3-carboxylic acid
CID 111996
1-(4-Methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2967410
1-(1-Ethylpropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4778108
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid
CID 776745
1-Octyl-5-oxopyrrolidine-3-carboxylic acid
CID 94089
1-Octadecyl-5-oxopyrrolidine-3-carboxylic acid
CID 111995
1-Hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 3031549

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclooctyl-5-oxopyrrolidine-3-carboxylic acid (CID 5124264) is 1-cyclooctyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclooctyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclooctyl-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(C2CCCCCCC2)C1.
What is the InChIKey of 1-cyclooctyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is CKUDLTYVRYZFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12-8-10(13(16)17)9-14(12)11-6-4-2-1-3-5-7-11/h10-11H,1-9H2,(H,16,17).
What are the key properties of 1-cyclooctyl-5-oxopyrrolidine-3-carboxylic acid?
1-cyclooctyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 5124264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).