3-(4-hydroxyphenyl)-2-[(3-hydroxyphenyl)methylamino]propanoic acid

C16H17NO4 — CID 82364579

IUPAC3-(4-hydroxyphenyl)-2-[(3-hydroxyphenyl)methylamino]propanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1)NCc1cccc(O)c1
InChIInChI=1S/C16H17NO4/c18-13-6-4-11(5-7-13)9-15(16(20)21)17-10-12-2-1-3-14(19)8-12/h1-8,15,17-19H,9-10H2,(H,20,21)
InChIKeyPOJCNGKOGLJEHG-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.88
Rot. Bonds6

About 3-(4-hydroxyphenyl)-2-[(3-hydroxyphenyl)methylamino]propanoic acid

3-(4-hydroxyphenyl)-2-[(3-hydroxyphenyl)methylamino]propanoic acid (PubChem CID 82364579) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-[(3-hydroxyphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-[(3-hydroxyphenyl)methylamino]propanoic acid
PubChem CID82364579
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name3-(4-hydroxyphenyl)-2-[(3-hydroxyphenyl)methylamino]propanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1)NCc1cccc(O)c1
InChIInChI=1S/C16H17NO4/c18-13-6-4-11(5-7-13)9-15(16(20)21)17-10-12-2-1-3-14(19)8-12/h1-8,15,17-19H,9-10H2,(H,20,21)
InChIKeyPOJCNGKOGLJEHG-UHFFFAOYSA-N
XLogP1.88
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-(4-hydroxyphenyl)-2-[(3-hydroxyphenyl)methylamino]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-[(3-fluorophenyl)methylamino]-3-(4-hydroxyphenyl)propanoic acid
CID 82364596
(2S)-2-[(3-bromophenyl)methylamino]-3-(4-hydroxyphenyl)propanoic acid
CID 70477172
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
(2S)-2-(benzylamino)-5-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 70500330
(2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid
CID 121475383
(2S)-2-[(3-phenoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 99796479
3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid
CID 112758397
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-phenylpropanoic acid
CID 120510749
(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 99796449
2-[(4-hydroxyphenyl)methylamino]butanedioic acid
CID 82364273
[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]astatine
CID 175700349
2-(benzylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 23018453

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-[(3-hydroxyphenyl)methylamino]propanoic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-2-[(3-hydroxyphenyl)methylamino]propanoic acid (CID 82364579) is 3-(4-hydroxyphenyl)-2-[(3-hydroxyphenyl)methylamino]propanoic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-[(3-hydroxyphenyl)methylamino]propanoic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-[(3-hydroxyphenyl)methylamino]propanoic acid is O=C(O)C(Cc1ccc(O)cc1)NCc1cccc(O)c1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-[(3-hydroxyphenyl)methylamino]propanoic acid?
The InChIKey is POJCNGKOGLJEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c18-13-6-4-11(5-7-13)9-15(16(20)21)17-10-12-2-1-3-14(19)8-12/h1-8,15,17-19H,9-10H2,(H,20,21).
What are the key properties of 3-(4-hydroxyphenyl)-2-[(3-hydroxyphenyl)methylamino]propanoic acid?
3-(4-hydroxyphenyl)-2-[(3-hydroxyphenyl)methylamino]propanoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-[(3-hydroxyphenyl)methylamino]propanoic acid is sourced from PubChem (CID 82364579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).