2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid

C16H17NO3 — CID 82026703

IUPAC2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(C(=O)O)c1ccc(N)cc1
InChIInChI=1S/C16H17NO3/c1-20-15-5-3-2-4-12(15)10-14(16(18)19)11-6-8-13(17)9-7-11/h2-9,14H,10,17H2,1H3,(H,18,19)
InChIKeyNISPBVNHDVTDRR-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.69
Rot. Bonds5

About 2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid

2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid (PubChem CID 82026703) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid
PubChem CID82026703
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(C(=O)O)c1ccc(N)cc1
InChIInChI=1S/C16H17NO3/c1-20-15-5-3-2-4-12(15)10-14(16(18)19)11-6-8-13(17)9-7-11/h2-9,14H,10,17H2,1H3,(H,18,19)
InChIKeyNISPBVNHDVTDRR-UHFFFAOYSA-N
XLogP2.69
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-3-(2-propoxyphenyl)propanoic acid
CID 83954423
2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
CID 83951203
3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83954988
2-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanoic acid
CID 83955719
N-(diaminomethylidene)-3-(2-methoxyphenyl)-2-phenylpropanamide
CID 90028154
2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
CID 82160886
2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid
CID 82140838
2-(4-aminophenyl)-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 83950622
3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid
CID 20984694
3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid
CID 112720015
3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141810
3-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141717

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid (CID 82026703) is 2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid is COc1ccccc1CC(C(=O)O)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid?
The InChIKey is NISPBVNHDVTDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-20-15-5-3-2-4-12(15)10-14(16(18)19)11-6-8-13(17)9-7-11/h2-9,14H,10,17H2,1H3,(H,18,19).
What are the key properties of 2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid?
2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 82026703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).