3-methoxy-2-(3-phenoxyanilino)propanoic acid

C16H17NO4 — CID 103243354

IUPAC3-methoxy-2-(3-phenoxyanilino)propanoic acid
SMILESCOCC(Nc1cccc(Oc2ccccc2)c1)C(=O)O
InChIInChI=1S/C16H17NO4/c1-20-11-15(16(18)19)17-12-6-5-9-14(10-12)21-13-7-3-2-4-8-13/h2-10,15,17H,11H2,1H3,(H,18,19)
InChIKeyGFRZYJBNRHHMPA-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.99
Rot. Bonds7

About 3-methoxy-2-(3-phenoxyanilino)propanoic acid

3-methoxy-2-(3-phenoxyanilino)propanoic acid (PubChem CID 103243354) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 3-methoxy-2-(3-phenoxyanilino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(3-phenoxyanilino)propanoic acid
PubChem CID103243354
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name3-methoxy-2-(3-phenoxyanilino)propanoic acid
SMILESCOCC(Nc1cccc(Oc2ccccc2)c1)C(=O)O
InChIInChI=1S/C16H17NO4/c1-20-11-15(16(18)19)17-12-6-5-9-14(10-12)21-13-7-3-2-4-8-13/h2-10,15,17H,11H2,1H3,(H,18,19)
InChIKeyGFRZYJBNRHHMPA-UHFFFAOYSA-N
XLogP2.99
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-2-(3-phenoxyanilino)propanoic 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

3-methoxy-2-(4-phenylanilino)propanoic acid
CID 103230384
2-methyl-N-(3-phenoxyphenyl)butanamide
CID 53364670
N,N-dimethyl-2-(3-phenoxyanilino)propanamide
CID 60671864
N-methoxy-3-phenoxyaniline
CID 90688975
3-methoxy-2-(pyridin-4-ylamino)propanoic acid
CID 81078676
2-(3-bromo-5-methylanilino)-3-methoxypropanoic acid
CID 107584256
2-(4-bromo-3-methoxyanilino)-3-methoxypropanoic acid
CID 103261943
(2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid
CID 124585346
2-(3-chloro-4-methoxyanilino)-3-methoxypropanoic acid
CID 112519196
2-(4-acetylanilino)-3-methoxypropanoic acid
CID 112518179
3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid
CID 81077972
methyl 2-[3-(2-methoxyethoxy)anilino]butanoate
CID 115353122

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-phenoxyanilino)propanoic acid?
The IUPAC name of 3-methoxy-2-(3-phenoxyanilino)propanoic acid (CID 103243354) is 3-methoxy-2-(3-phenoxyanilino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(3-phenoxyanilino)propanoic acid?
The canonical SMILES for 3-methoxy-2-(3-phenoxyanilino)propanoic acid is COCC(Nc1cccc(Oc2ccccc2)c1)C(=O)O.
What is the InChIKey of 3-methoxy-2-(3-phenoxyanilino)propanoic acid?
The InChIKey is GFRZYJBNRHHMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-20-11-15(16(18)19)17-12-6-5-9-14(10-12)21-13-7-3-2-4-8-13/h2-10,15,17H,11H2,1H3,(H,18,19).
What are the key properties of 3-methoxy-2-(3-phenoxyanilino)propanoic acid?
3-methoxy-2-(3-phenoxyanilino)propanoic acid has a molecular weight of 287.31 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-phenoxyanilino)propanoic acid is sourced from PubChem (CID 103243354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).