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

C16H19NO4 — CID 79192535

IUPAC4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCOc1ccc(C)cc1CC(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C16H19NO4/c1-10-3-6-14(21-2)12(7-10)9-15(18)17-13-5-4-11(8-13)16(19)20/h3-7,11,13H,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJZDGCKYXAYGQPJ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.69
Rot. Bonds5

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

4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79192535) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79192535
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCOc1ccc(C)cc1CC(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C16H19NO4/c1-10-3-6-14(21-2)12(7-10)9-15(18)17-13-5-4-11(8-13)16(19)20/h3-7,11,13H,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJZDGCKYXAYGQPJ-UHFFFAOYSA-N
XLogP1.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.69
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-methoxy-5-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209113
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
4-[(5-chloro-2-methoxyphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191795
N-(1-amino-2-methylpropan-2-yl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 110832873
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 114751337
3-[(2-methoxy-5-methylphenyl)methylamino]-3-oxopropanoic acid
CID 115163375
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]butanoic acid
CID 43388197
3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid
CID 64670700
N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 106121802
N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide
CID 9327312

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 79192535) is 4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid is COc1ccc(C)cc1CC(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is JZDGCKYXAYGQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10-3-6-14(21-2)12(7-10)9-15(18)17-13-5-4-11(8-13)16(19)20/h3-7,11,13H,8-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79192535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).