4-[(2-methoxy-5-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid

C15H17NO4 — CID 79209113

IUPAC4-[(2-methoxy-5-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCOc1ccc(C)cc1C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C15H17NO4/c1-9-3-6-13(20-2)12(7-9)14(17)16-11-5-4-10(8-11)15(18)19/h3-7,10-11H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHUUTYTIKRUCPAX-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.76
Rot. Bonds4

About 4-[(2-methoxy-5-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(2-methoxy-5-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79209113) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-[(2-methoxy-5-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methoxy-5-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79209113
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name4-[(2-methoxy-5-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCOc1ccc(C)cc1C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C15H17NO4/c1-9-3-6-13(20-2)12(7-9)14(17)16-11-5-4-10(8-11)15(18)19/h3-7,10-11H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHUUTYTIKRUCPAX-UHFFFAOYSA-N
XLogP1.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79192535
4-[(2,6-dimethoxybenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79191926
4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210197
4-[(2,4-difluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209546
4-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 104669802
4-[(5-chloro-2-methoxyphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191795
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzamide
CID 63251447
4-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210007
4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209654
N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide
CID 113274311
4-[(3-chloro-4-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209119
4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210093

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-5-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(2-methoxy-5-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 79209113) is 4-[(2-methoxy-5-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(2-methoxy-5-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(2-methoxy-5-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid is COc1ccc(C)cc1C(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[(2-methoxy-5-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is HUUTYTIKRUCPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9-3-6-13(20-2)12(7-9)14(17)16-11-5-4-10(8-11)15(18)19/h3-7,10-11H,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(2-methoxy-5-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(2-methoxy-5-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-5-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79209113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).