methyl 1,3-dihydroxy-2-(4-methoxyanilino)-4-oxocyclopent-2-ene-1-carboxylate

C14H15NO6 — CID 15740170

IUPACmethyl 1,3-dihydroxy-2-(4-methoxyanilino)-4-oxocyclopent-2-ene-1-carboxylate
SMILESCOC(=O)C1(O)CC(=O)C(O)=C1Nc1ccc(OC)cc1
InChIInChI=1S/C14H15NO6/c1-20-9-5-3-8(4-6-9)15-12-11(17)10(16)7-14(12,19)13(18)21-2/h3-6,15,17,19H,7H2,1-2H3
InChIKeyDGFVOBLMWMJHBK-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.75
Rot. Bonds4

About methyl 1,3-dihydroxy-2-(4-methoxyanilino)-4-oxocyclopent-2-ene-1-carboxylate

methyl 1,3-dihydroxy-2-(4-methoxyanilino)-4-oxocyclopent-2-ene-1-carboxylate (PubChem CID 15740170) has the molecular formula C14H15NO6 and a molecular weight of 293.28 g/mol. Its IUPAC name is methyl 1,3-dihydroxy-2-(4-methoxyanilino)-4-oxocyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1,3-dihydroxy-2-(4-methoxyanilino)-4-oxocyclopent-2-ene-1-carboxylate
PubChem CID15740170
Molecular FormulaC14H15NO6
Molecular Weight293.28 g/mol
Exact Mass293.09
IUPAC Namemethyl 1,3-dihydroxy-2-(4-methoxyanilino)-4-oxocyclopent-2-ene-1-carboxylate
SMILESCOC(=O)C1(O)CC(=O)C(O)=C1Nc1ccc(OC)cc1
InChIInChI=1S/C14H15NO6/c1-20-9-5-3-8(4-6-9)15-12-11(17)10(16)7-14(12,19)13(18)21-2/h3-6,15,17,19H,7H2,1-2H3
InChIKeyDGFVOBLMWMJHBK-UHFFFAOYSA-N
XLogP0.75
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 1,3-dihydroxy-2-(4-methoxyanilino)-4-oxocyclopent-2-ene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 54890159
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
dimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate
CID 10902346
bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
1,3-bis(4-methoxyphenyl)urea
CID 139045428
dimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate
CID 132990625
N-(4-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 816577
2,3,5-trichloro-6-(4-methoxyanilino)cyclohexa-2,5-diene-1,4-dione
CID 12620326
methyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate
CID 102364682
N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline
CID 101376712
methyl (1R)-1-hydroxy-2-oxocyclohexane-1-carboxylate
CID 92978930
2,5-bis(4-methoxyanilino)terephthalic acid
CID 3084837

Frequently Asked Questions

What is the IUPAC name of methyl 1,3-dihydroxy-2-(4-methoxyanilino)-4-oxocyclopent-2-ene-1-carboxylate?
The IUPAC name of methyl 1,3-dihydroxy-2-(4-methoxyanilino)-4-oxocyclopent-2-ene-1-carboxylate (CID 15740170) is methyl 1,3-dihydroxy-2-(4-methoxyanilino)-4-oxocyclopent-2-ene-1-carboxylate.
What is the SMILES notation for methyl 1,3-dihydroxy-2-(4-methoxyanilino)-4-oxocyclopent-2-ene-1-carboxylate?
The canonical SMILES for methyl 1,3-dihydroxy-2-(4-methoxyanilino)-4-oxocyclopent-2-ene-1-carboxylate is COC(=O)C1(O)CC(=O)C(O)=C1Nc1ccc(OC)cc1.
What is the InChIKey of methyl 1,3-dihydroxy-2-(4-methoxyanilino)-4-oxocyclopent-2-ene-1-carboxylate?
The InChIKey is DGFVOBLMWMJHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO6/c1-20-9-5-3-8(4-6-9)15-12-11(17)10(16)7-14(12,19)13(18)21-2/h3-6,15,17,19H,7H2,1-2H3.
What are the key properties of methyl 1,3-dihydroxy-2-(4-methoxyanilino)-4-oxocyclopent-2-ene-1-carboxylate?
methyl 1,3-dihydroxy-2-(4-methoxyanilino)-4-oxocyclopent-2-ene-1-carboxylate has a molecular weight of 293.28 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3-dihydroxy-2-(4-methoxyanilino)-4-oxocyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 15740170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).