(2S)-2-amino-3-(4-hydroxy-2-phenoxycarbonylphenyl)propanoic acid

C16H15NO5 — CID 69032825

IUPAC(2S)-2-amino-3-(4-hydroxy-2-phenoxycarbonylphenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(O)cc1C(=O)Oc1ccccc1)C(=O)O
InChIInChI=1S/C16H15NO5/c17-14(15(19)20)8-10-6-7-11(18)9-13(10)16(21)22-12-4-2-1-3-5-12/h1-7,9,14,18H,8,17H2,(H,19,20)/t14-/m0/s1
InChIKeyWWIDDMUVTOPLLN-AWEZNQCLSA-N
MW301.30 g/mol
LogP1.57
Rot. Bonds5

About (2S)-2-amino-3-(4-hydroxy-2-phenoxycarbonylphenyl)propanoic acid

(2S)-2-amino-3-(4-hydroxy-2-phenoxycarbonylphenyl)propanoic acid (PubChem CID 69032825) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxy-2-phenoxycarbonylphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxy-2-phenoxycarbonylphenyl)propanoic acid
PubChem CID69032825
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name(2S)-2-amino-3-(4-hydroxy-2-phenoxycarbonylphenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(O)cc1C(=O)Oc1ccccc1)C(=O)O
InChIInChI=1S/C16H15NO5/c17-14(15(19)20)8-10-6-7-11(18)9-13(10)16(21)22-12-4-2-1-3-5-12/h1-7,9,14,18H,8,17H2,(H,19,20)/t14-/m0/s1
InChIKeyWWIDDMUVTOPLLN-AWEZNQCLSA-N
XLogP1.57
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-3-(4-hydroxy-2-phenoxycarbonylphenyl)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-hydroxy-2-phenoxycarbonylphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-hydroxy-2-phenoxycarbonylphenyl)propanoic acid (CID 69032825) is (2S)-2-amino-3-(4-hydroxy-2-phenoxycarbonylphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxy-2-phenoxycarbonylphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxy-2-phenoxycarbonylphenyl)propanoic acid is N[C@@H](Cc1ccc(O)cc1C(=O)Oc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxy-2-phenoxycarbonylphenyl)propanoic acid?
The InChIKey is WWIDDMUVTOPLLN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15NO5/c17-14(15(19)20)8-10-6-7-11(18)9-13(10)16(21)22-12-4-2-1-3-5-12/h1-7,9,14,18H,8,17H2,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxy-2-phenoxycarbonylphenyl)propanoic acid?
(2S)-2-amino-3-(4-hydroxy-2-phenoxycarbonylphenyl)propanoic acid has a molecular weight of 301.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxy-2-phenoxycarbonylphenyl)propanoic acid is sourced from PubChem (CID 69032825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).