4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid

C16H26N2O3 — CID 79191671

IUPAC4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCCC1CCC(CNC(=O)NC2C=CC(C(=O)O)C2)CC1
InChIInChI=1S/C16H26N2O3/c1-2-11-3-5-12(6-4-11)10-17-16(21)18-14-8-7-13(9-14)15(19)20/h7-8,11-14H,2-6,9-10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyUDYIRQFTZFCQLG-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.53
Rot. Bonds5

About 4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid

4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79191671) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79191671
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCCC1CCC(CNC(=O)NC2C=CC(C(=O)O)C2)CC1
InChIInChI=1S/C16H26N2O3/c1-2-11-3-5-12(6-4-11)10-17-16(21)18-14-8-7-13(9-14)15(19)20/h7-8,11-14H,2-6,9-10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyUDYIRQFTZFCQLG-UHFFFAOYSA-N
XLogP2.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(oxan-4-ylmethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79210811
4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216361
4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191805
4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216867
4-(pentylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216817
4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216090
4-(2-cyclopentylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216844
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 113418295
4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 106279258
4-[(3-ethoxycyclobutyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 114120236
1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 113226526

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid (CID 79191671) is 4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid is CCC1CCC(CNC(=O)NC2C=CC(C(=O)O)C2)CC1.
What is the InChIKey of 4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is UDYIRQFTZFCQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-11-3-5-12(6-4-11)10-17-16(21)18-14-8-7-13(9-14)15(19)20/h7-8,11-14H,2-6,9-10H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid?
4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 294.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79191671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).