4-(3-cyclopentylpropanoylamino)cyclopent-2-ene-1-carboxylic acid

C14H21NO3 — CID 79209129

IUPAC4-(3-cyclopentylpropanoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(CCC1CCCC1)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C14H21NO3/c16-13(8-5-10-3-1-2-4-10)15-12-7-6-11(9-12)14(17)18/h6-7,10-12H,1-5,8-9H2,(H,15,16)(H,17,18)
InChIKeySTZUFCOZZIBCHP-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.10
Rot. Bonds5

About 4-(3-cyclopentylpropanoylamino)cyclopent-2-ene-1-carboxylic acid

4-(3-cyclopentylpropanoylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79209129) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(3-cyclopentylpropanoylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-cyclopentylpropanoylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID79209129
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-(3-cyclopentylpropanoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(CCC1CCCC1)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C14H21NO3/c16-13(8-5-10-3-1-2-4-10)15-12-7-6-11(9-12)14(17)18/h6-7,10-12H,1-5,8-9H2,(H,15,16)(H,17,18)
InChIKeySTZUFCOZZIBCHP-UHFFFAOYSA-N
XLogP2.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

4-[(2-cyclohexylacetyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79208872
4-(2-cyclopentylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216844
4-(4,4,4-trifluorobutanoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79208511
4-(pentanoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209353
4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209356
4-(cyclopentylamino)cyclopent-2-ene-1-carboxylic acid
CID 82934042
N-(4-aminocyclohexyl)-3-cyclopentylpropanamide;hydrochloride
CID 119260252
4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216361
4-[4-(5-bromothiophen-2-yl)butanoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79208986
4-(oxan-4-ylmethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79210811
4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 113418295
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentylpropanoylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(3-cyclopentylpropanoylamino)cyclopent-2-ene-1-carboxylic acid (CID 79209129) is 4-(3-cyclopentylpropanoylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(3-cyclopentylpropanoylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(3-cyclopentylpropanoylamino)cyclopent-2-ene-1-carboxylic acid is O=C(CCC1CCCC1)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-(3-cyclopentylpropanoylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is STZUFCOZZIBCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c16-13(8-5-10-3-1-2-4-10)15-12-7-6-11(9-12)14(17)18/h6-7,10-12H,1-5,8-9H2,(H,15,16)(H,17,18).
What are the key properties of 4-(3-cyclopentylpropanoylamino)cyclopent-2-ene-1-carboxylic acid?
4-(3-cyclopentylpropanoylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentylpropanoylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79209129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).