(Z)-2-hydroxy-4-[methoxy-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid

C13H15NO5 — CID 59098252

IUPAC(Z)-2-hydroxy-4-[methoxy-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
SMILESCON(Cc1ccc(C)cc1)C(=O)/C=C(\O)C(=O)O
InChIInChI=1S/C13H15NO5/c1-9-3-5-10(6-4-9)8-14(19-2)12(16)7-11(15)13(17)18/h3-7,15H,8H2,1-2H3,(H,17,18)/b11-7-
InChIKeyYIBIMKFCQXZHLN-XFFZJAGNSA-N
MW265.27 g/mol
LogP1.41
Rot. Bonds5

About (Z)-2-hydroxy-4-[methoxy-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid

(Z)-2-hydroxy-4-[methoxy-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid (PubChem CID 59098252) has the molecular formula C13H15NO5 and a molecular weight of 265.27 g/mol. Its IUPAC name is (Z)-2-hydroxy-4-[methoxy-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-hydroxy-4-[methoxy-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
PubChem CID59098252
Molecular FormulaC13H15NO5
Molecular Weight265.27 g/mol
Exact Mass265.10
IUPAC Name(Z)-2-hydroxy-4-[methoxy-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
SMILESCON(Cc1ccc(C)cc1)C(=O)/C=C(\O)C(=O)O
InChIInChI=1S/C13H15NO5/c1-9-3-5-10(6-4-9)8-14(19-2)12(16)7-11(15)13(17)18/h3-7,15H,8H2,1-2H3,(H,17,18)/b11-7-
InChIKeyYIBIMKFCQXZHLN-XFFZJAGNSA-N
XLogP1.41
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-[(4-fluorophenyl)methyl-methoxyamino]-2-hydroxy-4-oxobut-2-enoic acid
CID 54706524
(E)-4-[(4-fluorophenyl)methyl-methoxyamino]-2-hydroxy-4-oxobut-2-enoic acid
CID 87892804
4-[(4-cyanophenyl)methyl-methoxyamino]-2-hydroxy-4-oxobut-2-enoic acid
CID 141072103
(Z)-4-[(4-fluoro-3-methylphenyl)methyl-methoxyamino]-2-hydroxy-4-oxobut-2-enoic acid
CID 54679737
N-benzyl-N-methoxyprop-2-enamide
CID 86239438
(Z)-4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-2-hydroxy-4-oxobut-2-enoic acid
CID 54689319
(Z)-N-cyclopentylsulfanyl-N'-[(4-fluorophenyl)methyl]-2-hydroxy-N'-methoxybut-2-enediamide
CID 142970659
N-[(4-fluorophenyl)methyl]-N-methoxybut-2-enamide
CID 142970675
N-chloro-N-methoxy-2-(4-methylphenyl)acetamide
CID 131845832
(Z)-4-[benzyl(butyl)amino]-2-hydroxy-4-oxobut-2-enoic acid
CID 54689381
amino-[(4-methylphenyl)methyl]carbamic acid
CID 68916072
2-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide
CID 166406350

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-4-[methoxy-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-2-hydroxy-4-[methoxy-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid (CID 59098252) is (Z)-2-hydroxy-4-[methoxy-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-2-hydroxy-4-[methoxy-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-2-hydroxy-4-[methoxy-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid is CON(Cc1ccc(C)cc1)C(=O)/C=C(\O)C(=O)O.
What is the InChIKey of (Z)-2-hydroxy-4-[methoxy-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid?
The InChIKey is YIBIMKFCQXZHLN-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H15NO5/c1-9-3-5-10(6-4-9)8-14(19-2)12(16)7-11(15)13(17)18/h3-7,15H,8H2,1-2H3,(H,17,18)/b11-7-.
What are the key properties of (Z)-2-hydroxy-4-[methoxy-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid?
(Z)-2-hydroxy-4-[methoxy-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid has a molecular weight of 265.27 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-4-[methoxy-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid is sourced from PubChem (CID 59098252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).