3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid

C10H11NO4 — CID 146619681

IUPAC3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid
SMILESCOc1cc(N)ccc1C(=O)CC(=O)O
InChIInChI=1S/C10H11NO4/c1-15-9-4-6(11)2-3-7(9)8(12)5-10(13)14/h2-4H,5,11H2,1H3,(H,13,14)
InChIKeyYIXLOFDDGNQNKH-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.93
Rot. Bonds4

About 3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid

3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid (PubChem CID 146619681) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid
PubChem CID146619681
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid
SMILESCOc1cc(N)ccc1C(=O)CC(=O)O
InChIInChI=1S/C10H11NO4/c1-15-9-4-6(11)2-3-7(9)8(12)5-10(13)14/h2-4H,5,11H2,1H3,(H,13,14)
InChIKeyYIXLOFDDGNQNKH-UHFFFAOYSA-N
XLogP0.93
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid 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

2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
CID 107207731
4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid
CID 107207734
1-(4-amino-2-methoxyphenyl)ethenol
CID 89240422
(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid
CID 107207808
2-(5-amino-2-methoxyphenoxy)acetic acid
CID 59419305
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide
CID 115355845
(2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836361
[3-oxo-3-(propan-2-ylamino)propyl] 4-amino-2-methoxybenzoate
CID 104784112
4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836071
4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 107207914
3-[(4-amino-2-methoxybenzoyl)amino]-2,2,3-trimethylbutanoic acid
CID 107207865
2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 107207923

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid?
The IUPAC name of 3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid (CID 146619681) is 3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid.
What is the SMILES notation for 3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid?
The canonical SMILES for 3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid is COc1cc(N)ccc1C(=O)CC(=O)O.
What is the InChIKey of 3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid?
The InChIKey is YIXLOFDDGNQNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-9-4-6(11)2-3-7(9)8(12)5-10(13)14/h2-4H,5,11H2,1H3,(H,13,14).
What are the key properties of 3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid?
3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid has a molecular weight of 209.20 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid is sourced from PubChem (CID 146619681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).