4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid

C14H19NO3 — CID 79209226

IUPAC4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(CC1=CCCCC1)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C14H19NO3/c16-13(8-10-4-2-1-3-5-10)15-12-7-6-11(9-12)14(17)18/h4,6-7,11-12H,1-3,5,8-9H2,(H,15,16)(H,17,18)
InChIKeyKGESDBMFMUAIAZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.02
Rot. Bonds4

About 4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid

4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79209226) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79209226
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(CC1=CCCCC1)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C14H19NO3/c16-13(8-10-4-2-1-3-5-10)15-12-7-6-11(9-12)14(17)18/h4,6-7,11-12H,1-3,5,8-9H2,(H,15,16)(H,17,18)
InChIKeyKGESDBMFMUAIAZ-UHFFFAOYSA-N
XLogP2.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.02
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

N-(2-aminocyclopropyl)-2-(cyclohexen-1-yl)acetamide
CID 63563093
4-(4,4,4-trifluorobutanoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79208511
2-(cyclohexen-1-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688799
4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79192535
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79209203
6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid
CID 55214702
1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
N-(2-aminoethyl)-2-(cyclohexen-1-yl)acetamide
CID 63564998
2-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopentane-1-carboxamide
CID 71989735
2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide
CID 63563087
2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide
CID 63563665
4-[3-(3,4-difluorophenyl)propanoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79192378

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 79209226) is 4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid is O=C(CC1=CCCCC1)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is KGESDBMFMUAIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13(8-10-4-2-1-3-5-10)15-12-7-6-11(9-12)14(17)18/h4,6-7,11-12H,1-3,5,8-9H2,(H,15,16)(H,17,18).
What are the key properties of 4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79209226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).