4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid

C15H18N2O4 — CID 79191333

IUPAC4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCOc1ccc(N(C)C(=O)NC2C=CC(C(=O)O)C2)cc1
InChIInChI=1S/C15H18N2O4/c1-17(12-5-7-13(21-2)8-6-12)15(20)16-11-4-3-10(9-11)14(18)19/h3-8,10-11H,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyXLLUMEUURQPEPO-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.87
Rot. Bonds4

About 4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid

4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79191333) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79191333
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCOc1ccc(N(C)C(=O)NC2C=CC(C(=O)O)C2)cc1
InChIInChI=1S/C15H18N2O4/c1-17(12-5-7-13(21-2)8-6-12)15(20)16-11-4-3-10(9-11)14(18)19/h3-8,10-11H,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyXLLUMEUURQPEPO-UHFFFAOYSA-N
XLogP1.87
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[(4-methoxyphenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 79191333) is 4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid is COc1ccc(N(C)C(=O)NC2C=CC(C(=O)O)C2)cc1.
What is the InChIKey of 4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is XLLUMEUURQPEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-17(12-5-7-13(21-2)8-6-12)15(20)16-11-4-3-10(9-11)14(18)19/h3-8,10-11H,9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79191333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).