4-[(2-cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid

C14H21NO3 — CID 60809027

IUPAC4-[(2-cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(CC1C=CCC1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H21NO3/c16-13(9-10-3-1-2-4-10)15-12-7-5-11(6-8-12)14(17)18/h1,3,10-12H,2,4-9H2,(H,15,16)(H,17,18)
InChIKeyNUQSGOKHJLOKNN-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.10
Rot. Bonds4

About 4-[(2-cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid

4-[(2-cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 60809027) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[(2-cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid
PubChem CID60809027
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-[(2-cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(CC1C=CCC1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H21NO3/c16-13(9-10-3-1-2-4-10)15-12-7-5-11(6-8-12)14(17)18/h1,3,10-12H,2,4-9H2,(H,15,16)(H,17,18)
InChIKeyNUQSGOKHJLOKNN-UHFFFAOYSA-N
XLogP2.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid (CID 60809027) is 4-[(2-cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid is O=C(CC1C=CCC1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is NUQSGOKHJLOKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c16-13(9-10-3-1-2-4-10)15-12-7-5-11(6-8-12)14(17)18/h1,3,10-12H,2,4-9H2,(H,15,16)(H,17,18).
What are the key properties of 4-[(2-cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid?
4-[(2-cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).