2-amino-3-[[4-methoxy-2-(2-phenylphenyl)phenyl]methylsulfanyl]propanoic acid

C23H23NO3S — CID 141263860

IUPAC2-amino-3-[[4-methoxy-2-(2-phenylphenyl)phenyl]methylsulfanyl]propanoic acid
SMILESCOc1ccc(CSCC(N)C(=O)O)c(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C23H23NO3S/c1-27-18-12-11-17(14-28-15-22(24)23(25)26)21(13-18)20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-13,22H,14-15,24H2,1H3,(H,25,26)
InChIKeyFXOOUYXGEPGEGL-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.67
Rot. Bonds8

About 2-amino-3-[[4-methoxy-2-(2-phenylphenyl)phenyl]methylsulfanyl]propanoic acid

2-amino-3-[[4-methoxy-2-(2-phenylphenyl)phenyl]methylsulfanyl]propanoic acid (PubChem CID 141263860) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-amino-3-[[4-methoxy-2-(2-phenylphenyl)phenyl]methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[[4-methoxy-2-(2-phenylphenyl)phenyl]methylsulfanyl]propanoic acid
PubChem CID141263860
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name2-amino-3-[[4-methoxy-2-(2-phenylphenyl)phenyl]methylsulfanyl]propanoic acid
SMILESCOc1ccc(CSCC(N)C(=O)O)c(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C23H23NO3S/c1-27-18-12-11-17(14-28-15-22(24)23(25)26)21(13-18)20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-13,22H,14-15,24H2,1H3,(H,25,26)
InChIKeyFXOOUYXGEPGEGL-UHFFFAOYSA-N
XLogP4.67
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-[[4-methoxy-2-(2-phenylphenyl)phenyl]methylsulfanyl]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

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[4-methoxy-2-(2-phenylphenyl)phenyl]methylsulfanyl]propanoic acid?
The IUPAC name of 2-amino-3-[[4-methoxy-2-(2-phenylphenyl)phenyl]methylsulfanyl]propanoic acid (CID 141263860) is 2-amino-3-[[4-methoxy-2-(2-phenylphenyl)phenyl]methylsulfanyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[[4-methoxy-2-(2-phenylphenyl)phenyl]methylsulfanyl]propanoic acid?
The canonical SMILES for 2-amino-3-[[4-methoxy-2-(2-phenylphenyl)phenyl]methylsulfanyl]propanoic acid is COc1ccc(CSCC(N)C(=O)O)c(-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 2-amino-3-[[4-methoxy-2-(2-phenylphenyl)phenyl]methylsulfanyl]propanoic acid?
The InChIKey is FXOOUYXGEPGEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-27-18-12-11-17(14-28-15-22(24)23(25)26)21(13-18)20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-13,22H,14-15,24H2,1H3,(H,25,26).
What are the key properties of 2-amino-3-[[4-methoxy-2-(2-phenylphenyl)phenyl]methylsulfanyl]propanoic acid?
2-amino-3-[[4-methoxy-2-(2-phenylphenyl)phenyl]methylsulfanyl]propanoic acid has a molecular weight of 393.51 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[4-methoxy-2-(2-phenylphenyl)phenyl]methylsulfanyl]propanoic acid is sourced from PubChem (CID 141263860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).