2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid

C14H16N2O4 — CID 115411484

IUPAC2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)C2C=CC(N)C2)c(C(=O)O)c1
InChIInChI=1S/C14H16N2O4/c1-20-10-4-5-12(11(7-10)14(18)19)16-13(17)8-2-3-9(15)6-8/h2-5,7-9H,6,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyAFOQVJJYOBPCPP-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.24
Rot. Bonds4

About 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid

2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid (PubChem CID 115411484) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid
PubChem CID115411484
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)C2C=CC(N)C2)c(C(=O)O)c1
InChIInChI=1S/C14H16N2O4/c1-20-10-4-5-12(11(7-10)14(18)19)16-13(17)8-2-3-9(15)6-8/h2-5,7-9H,6,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyAFOQVJJYOBPCPP-UHFFFAOYSA-N
XLogP1.24
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid?
The IUPAC name of 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid (CID 115411484) is 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid.
What is the SMILES notation for 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid?
The canonical SMILES for 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid is COc1ccc(NC(=O)C2C=CC(N)C2)c(C(=O)O)c1.
What is the InChIKey of 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid?
The InChIKey is AFOQVJJYOBPCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-20-10-4-5-12(11(7-10)14(18)19)16-13(17)8-2-3-9(15)6-8/h2-5,7-9H,6,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid?
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid has a molecular weight of 276.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid is sourced from PubChem (CID 115411484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).