4-(2-methoxyanilino)-4-oxobutanoic acid

C11H13NO4 — CID 693069

IUPAC4-(2-methoxyanilino)-4-oxobutanoic acid
SMILESCOc1ccccc1NC(=O)CCC(=O)O
InChIInChI=1S/C11H13NO4/c1-16-9-5-3-2-4-8(9)12-10(13)6-7-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyPRKZZDBCWQJVMT-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.50
Rot. Bonds5

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

4-(2-methoxyanilino)-4-oxobutanoic acid (PubChem CID 693069) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(2-methoxyanilino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2-methoxyanilino)-4-oxobutanoic acid
PubChem CID693069
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name4-(2-methoxyanilino)-4-oxobutanoic acid
SMILESCOc1ccccc1NC(=O)CCC(=O)O
InChIInChI=1S/C11H13NO4/c1-16-9-5-3-2-4-8(9)12-10(13)6-7-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyPRKZZDBCWQJVMT-UHFFFAOYSA-N
XLogP1.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Acetamide, N-(2-methoxyphenyl)-
CID 7135
Acetoacet-o-anisidide
CID 7078
3'-Amino-4'-methoxyacetanilide
CID 80779
o-Ethoxyacetanilide
CID 11383
2'-(Trifluoromethoxy)acetanilide
CID 600772
4-(4-Hydroxyanilino)-4-oxobutanoic acid
CID 605610
(2E)-4-[(2-methoxyphenyl)amino]-4-oxobut-2-enoic acid
CID 682454
2-Chloro-N-(2-methoxyphenyl)acetamide
CID 41647
3-[(2-Methoxyphenyl)amino]propanoic acid
CID 2380514
4-((2,4-Dimethoxyphenyl)amino)-4-oxobut-2-enoic acid
CID 708945
2-Phenoxyacetanilide
CID 897080
N,N'-bis(2-methoxyphenyl)hexanediamide
CID 2165672

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyanilino)-4-oxobutanoic acid?
The IUPAC name of 4-(2-methoxyanilino)-4-oxobutanoic acid (CID 693069) is 4-(2-methoxyanilino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(2-methoxyanilino)-4-oxobutanoic acid?
The canonical SMILES for 4-(2-methoxyanilino)-4-oxobutanoic acid is COc1ccccc1NC(=O)CCC(=O)O.
What is the InChIKey of 4-(2-methoxyanilino)-4-oxobutanoic acid?
The InChIKey is PRKZZDBCWQJVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-16-9-5-3-2-4-8(9)12-10(13)6-7-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-(2-methoxyanilino)-4-oxobutanoic acid?
4-(2-methoxyanilino)-4-oxobutanoic acid has a molecular weight of 223.23 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyanilino)-4-oxobutanoic acid is sourced from PubChem (CID 693069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).