(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid

C15H15NO4 — CID 5461103

IUPAC(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O
InChIInChI=1S/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19)/t14-/m0/s1
InChIKeyKKCIOUWDFWQUBT-AWEZNQCLSA-N
MW273.29 g/mol
LogP2.14
Rot. Bonds5

About (2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid

(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid (PubChem CID 5461103) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid
PubChem CID5461103
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O
InChIInChI=1S/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19)/t14-/m0/s1
InChIKeyKKCIOUWDFWQUBT-AWEZNQCLSA-N
XLogP2.14
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-[4-(4-hydroxyphenoxy)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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid (CID 5461103) is (2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid is N[C@@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid?
The InChIKey is KKCIOUWDFWQUBT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid?
(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid is sourced from PubChem (CID 5461103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).