4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid

C15H23NO3 — CID 79209356

IUPAC4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(NC(=O)C2CCCCCCC2)C1
InChIInChI=1S/C15H23NO3/c17-14(11-6-4-2-1-3-5-7-11)16-13-9-8-12(10-13)15(18)19/h8-9,11-13H,1-7,10H2,(H,16,17)(H,18,19)
InChIKeyCSNNONDELHWTPJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.49
Rot. Bonds3

About 4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid

4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79209356) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID79209356
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(NC(=O)C2CCCCCCC2)C1
InChIInChI=1S/C15H23NO3/c17-14(11-6-4-2-1-3-5-7-11)16-13-9-8-12(10-13)15(18)19/h8-9,11-13H,1-7,10H2,(H,16,17)(H,18,19)
InChIKeyCSNNONDELHWTPJ-UHFFFAOYSA-N
XLogP2.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216512
4-[(2-cyclohexylacetyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79208872
4-(cyclopentylamino)cyclopent-2-ene-1-carboxylic acid
CID 82934042
4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 83020303
4-[(2-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216891
4-(3-cyclopentylpropanoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209129
4-(2-cyclopentylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216844
4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209096
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 102727428
4-[(1-methylcyclohexyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79215823
N-(2-aminocyclopropyl)cyclohexanecarboxamide
CID 43593715
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79215858

Frequently Asked Questions

What is the IUPAC name of 4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid (CID 79209356) is 4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid is O=C(O)C1C=CC(NC(=O)C2CCCCCCC2)C1.
What is the InChIKey of 4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is CSNNONDELHWTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-14(11-6-4-2-1-3-5-7-11)16-13-9-8-12(10-13)15(18)19/h8-9,11-13H,1-7,10H2,(H,16,17)(H,18,19).
What are the key properties of 4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid?
4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79209356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).