6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid

C20H24ClNO3 — CID 119174947

IUPAC6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)C1(c3cccc(Cl)c3)CCCC1)CC2
InChIInChI=1S/C20H24ClNO3/c21-15-5-3-4-14(12-15)20(6-1-2-7-20)18(25)22-10-8-19(9-11-22)13-16(19)17(23)24/h3-5,12,16H,1-2,6-11,13H2,(H,23,24)
InChIKeyFZDJNQQFUMFPRY-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.87
Rot. Bonds3

About 6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid

6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119174947) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119174947
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)C1(c3cccc(Cl)c3)CCCC1)CC2
InChIInChI=1S/C20H24ClNO3/c21-15-5-3-4-14(12-15)20(6-1-2-7-20)18(25)22-10-8-19(9-11-22)13-16(19)17(23)24/h3-5,12,16H,1-2,6-11,13H2,(H,23,24)
InChIKeyFZDJNQQFUMFPRY-UHFFFAOYSA-N
XLogP3.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-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

6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174632
1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251972
(2R)-6-[4-(3-bromophenyl)oxane-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 95345869
[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 119401673
[1-(3-chlorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 134018025
1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 119167682
1-[1-(3-chlorophenyl)cyclopentanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256737
[1-(3-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55687550
[1-(3-chlorophenyl)cyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 134048238
[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 110436800
[1-(3-chlorophenyl)cyclohexyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560944
1-[4-(3-chlorophenyl)oxane-4-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119252081

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119174947) is 6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)C1(c3cccc(Cl)c3)CCCC1)CC2.
What is the InChIKey of 6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is FZDJNQQFUMFPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c21-15-5-3-4-14(12-15)20(6-1-2-7-20)18(25)22-10-8-19(9-11-22)13-16(19)17(23)24/h3-5,12,16H,1-2,6-11,13H2,(H,23,24).
What are the key properties of 6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 361.87 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119174947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).