2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid

C23H23NO4 — CID 170879962

IUPAC2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid
SMILESCOc1ccc(CC(N)C(=O)O)cc1COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23NO4/c1-27-22-12-7-16(14-21(24)23(25)26)13-19(22)15-28-20-10-8-18(9-11-20)17-5-3-2-4-6-17/h2-13,21H,14-15,24H2,1H3,(H,25,26)
InChIKeyFHHRDKBDCXXESI-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.90
Rot. Bonds8

About 2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid

2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid (PubChem CID 170879962) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid
PubChem CID170879962
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid
SMILESCOc1ccc(CC(N)C(=O)O)cc1COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23NO4/c1-27-22-12-7-16(14-21(24)23(25)26)13-19(22)15-28-20-10-8-18(9-11-20)17-5-3-2-4-6-17/h2-13,21H,14-15,24H2,1H3,(H,25,26)
InChIKeyFHHRDKBDCXXESI-UHFFFAOYSA-N
XLogP3.90
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]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

2-amino-3-[4-methoxy-3-[(4-propan-2-ylphenoxy)methyl]phenyl]propanoic acid
CID 170879741
methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
CID 170883906
ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
CID 170885406
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid
CID 12968475
1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine
CID 170864749
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
2-amino-3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 19842140
methyl 3-[3-(acetyloxymethyl)-4-methoxyphenyl]-2-aminopropanoate
CID 170883870
ethyl (2R)-2-amino-3-[3-(4-phenylmethoxyphenyl)phenyl]propanoate
CID 154815424
(E)-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]-1-thiophen-2-ylprop-2-en-1-one
CID 19544757

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid (CID 170879962) is 2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid is COc1ccc(CC(N)C(=O)O)cc1COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid?
The InChIKey is FHHRDKBDCXXESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-27-22-12-7-16(14-21(24)23(25)26)13-19(22)15-28-20-10-8-18(9-11-20)17-5-3-2-4-6-17/h2-13,21H,14-15,24H2,1H3,(H,25,26).
What are the key properties of 2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid?
2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid has a molecular weight of 377.44 g/mol, XLogP of 3.90, 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-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid is sourced from PubChem (CID 170879962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).