1-(3-cyclopentylprop-2-enoylamino)cyclohexane-1-carboxylic acid

C15H23NO3 — CID 67181840

IUPAC1-(3-cyclopentylprop-2-enoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(C=CC1CCCC1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H23NO3/c17-13(9-8-12-6-2-3-7-12)16-15(14(18)19)10-4-1-5-11-15/h8-9,12H,1-7,10-11H2,(H,16,17)(H,18,19)
InChIKeyGKQXWEKKXYFXFR-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.64
Rot. Bonds4

About 1-(3-cyclopentylprop-2-enoylamino)cyclohexane-1-carboxylic acid

1-(3-cyclopentylprop-2-enoylamino)cyclohexane-1-carboxylic acid (PubChem CID 67181840) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(3-cyclopentylprop-2-enoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclopentylprop-2-enoylamino)cyclohexane-1-carboxylic acid
PubChem CID67181840
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(3-cyclopentylprop-2-enoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(C=CC1CCCC1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H23NO3/c17-13(9-8-12-6-2-3-7-12)16-15(14(18)19)10-4-1-5-11-15/h8-9,12H,1-7,10-11H2,(H,16,17)(H,18,19)
InChIKeyGKQXWEKKXYFXFR-UHFFFAOYSA-N
XLogP2.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylprop-2-enoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(3-cyclopentylprop-2-enoylamino)cyclohexane-1-carboxylic acid (CID 67181840) is 1-(3-cyclopentylprop-2-enoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(3-cyclopentylprop-2-enoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(3-cyclopentylprop-2-enoylamino)cyclohexane-1-carboxylic acid is O=C(C=CC1CCCC1)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(3-cyclopentylprop-2-enoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is GKQXWEKKXYFXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-13(9-8-12-6-2-3-7-12)16-15(14(18)19)10-4-1-5-11-15/h8-9,12H,1-7,10-11H2,(H,16,17)(H,18,19).
What are the key properties of 1-(3-cyclopentylprop-2-enoylamino)cyclohexane-1-carboxylic acid?
1-(3-cyclopentylprop-2-enoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylprop-2-enoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 67181840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).