3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid

C15H25NO3 — CID 103549818

IUPAC3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCCCCCC2)C1
InChIInChI=1S/C15H25NO3/c17-14(11-8-9-12(10-11)15(18)19)16-13-6-4-2-1-3-5-7-13/h11-13H,1-10H2,(H,16,17)(H,18,19)
InChIKeyDVCJBOATNIIOQB-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.72
Rot. Bonds3

About 3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid

3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103549818) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103549818
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCCCCCC2)C1
InChIInChI=1S/C15H25NO3/c17-14(11-8-9-12(10-11)15(18)19)16-13-6-4-2-1-3-5-7-13/h11-13H,1-10H2,(H,16,17)(H,18,19)
InChIKeyDVCJBOATNIIOQB-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103549818) is 3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NC2CCCCCCC2)C1.
What is the InChIKey of 3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is DVCJBOATNIIOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-14(11-8-9-12(10-11)15(18)19)16-13-6-4-2-1-3-5-7-13/h11-13H,1-10H2,(H,16,17)(H,18,19).
What are the key properties of 3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid?
3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103549818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).