2-(4-methoxyanilino)-2-oxoacetic acid

C9H9NO4 — CID 4962374

IUPAC2-(4-methoxyanilino)-2-oxoacetic acid
SMILESCOc1ccc(NC(=O)C(=O)O)cc1
InChIInChI=1S/C9H9NO4/c1-14-7-4-2-6(3-5-7)10-8(11)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKeyOHBNHGKGBOYRSB-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.72
Rot. Bonds2

About 2-(4-methoxyanilino)-2-oxoacetic acid

2-(4-methoxyanilino)-2-oxoacetic acid (PubChem CID 4962374) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(4-methoxyanilino)-2-oxoacetic acid
PubChem CID4962374
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2-(4-methoxyanilino)-2-oxoacetic acid
SMILESCOc1ccc(NC(=O)C(=O)O)cc1
InChIInChI=1S/C9H9NO4/c1-14-7-4-2-6(3-5-7)10-8(11)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKeyOHBNHGKGBOYRSB-UHFFFAOYSA-N
XLogP0.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

copper bis(2-(4-methoxyanilino)-2-oxoacetate)
CID 52913680
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
CID 28710622
N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
CID 134218618
2-chloro-N-(4-methoxyphenyl)prop-2-enamide
CID 29979
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
(Z)-2-methoxy-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 56968197
2-[[2-(4-methoxyanilino)-2-oxoacetyl]-methylamino]acetic acid
CID 21204128
(Z)-2-hydroxy-N-(4-methoxyphenyl)-5,5-dimethyl-4-oxohex-2-enamide
CID 5417578

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-2-oxoacetic acid?
The IUPAC name of 2-(4-methoxyanilino)-2-oxoacetic acid (CID 4962374) is 2-(4-methoxyanilino)-2-oxoacetic acid.
What is the SMILES notation for 2-(4-methoxyanilino)-2-oxoacetic acid?
The canonical SMILES for 2-(4-methoxyanilino)-2-oxoacetic acid is COc1ccc(NC(=O)C(=O)O)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-2-oxoacetic acid?
The InChIKey is OHBNHGKGBOYRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-14-7-4-2-6(3-5-7)10-8(11)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-(4-methoxyanilino)-2-oxoacetic acid?
2-(4-methoxyanilino)-2-oxoacetic acid has a molecular weight of 195.17 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-2-oxoacetic acid is sourced from PubChem (CID 4962374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).