(2S)-2-amino-3-[3-(1-phenyl-1-phosphonoethyl)phenyl]propanoic acid

C17H20NO5P — CID 57029804

IUPAC(2S)-2-amino-3-[3-(1-phenyl-1-phosphonoethyl)phenyl]propanoic acid
SMILESCC(c1ccccc1)(c1cccc(C[C@H](N)C(=O)O)c1)P(=O)(O)O
InChIInChI=1S/C17H20NO5P/c1-17(24(21,22)23,13-7-3-2-4-8-13)14-9-5-6-12(10-14)11-15(18)16(19)20/h2-10,15H,11,18H2,1H3,(H,19,20)(H2,21,22,23)/t15-,17?/m0/s1
InChIKeyQSFVOOCUFAWLIR-MYJWUSKBSA-N
MW349.32 g/mol
LogP2.08
Rot. Bonds6

About (2S)-2-amino-3-[3-(1-phenyl-1-phosphonoethyl)phenyl]propanoic acid

(2S)-2-amino-3-[3-(1-phenyl-1-phosphonoethyl)phenyl]propanoic acid (PubChem CID 57029804) has the molecular formula C17H20NO5P and a molecular weight of 349.32 g/mol. Its IUPAC name is (2S)-2-amino-3-[3-(1-phenyl-1-phosphonoethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[3-(1-phenyl-1-phosphonoethyl)phenyl]propanoic acid
PubChem CID57029804
Molecular FormulaC17H20NO5P
Molecular Weight349.32 g/mol
Exact Mass349.11
IUPAC Name(2S)-2-amino-3-[3-(1-phenyl-1-phosphonoethyl)phenyl]propanoic acid
SMILESCC(c1ccccc1)(c1cccc(C[C@H](N)C(=O)O)c1)P(=O)(O)O
InChIInChI=1S/C17H20NO5P/c1-17(24(21,22)23,13-7-3-2-4-8-13)14-9-5-6-12(10-14)11-15(18)16(19)20/h2-10,15H,11,18H2,1H3,(H,19,20)(H2,21,22,23)/t15-,17?/m0/s1
InChIKeyQSFVOOCUFAWLIR-MYJWUSKBSA-N
XLogP2.08
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-3-[3-(1-phenyl-1-phosphonoethyl)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

(2S)-2-amino-3-[3-(1-fluoro-1-phosphonoethyl)phenyl]propanoic acid
CID 57039581
(2S)-2-amino-3-(3-tert-butylphenyl)propanoic acid;hydrochloride
CID 20706030
(2S)-2-amino-3-phenylpropanoic acid;phosphoric acid
CID 69256831
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-[3-(tert-butylcarbamoyl)phenyl]propanoic acid
CID 139521017
(2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid
CID 135331594
(2R)-3-(3-acetylphenyl)-2-aminopropanoic acid
CID 150517437
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[3-(1-phenyl-1-phosphonoethyl)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[3-(1-phenyl-1-phosphonoethyl)phenyl]propanoic acid (CID 57029804) is (2S)-2-amino-3-[3-(1-phenyl-1-phosphonoethyl)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[3-(1-phenyl-1-phosphonoethyl)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[3-(1-phenyl-1-phosphonoethyl)phenyl]propanoic acid is CC(c1ccccc1)(c1cccc(C[C@H](N)C(=O)O)c1)P(=O)(O)O.
What is the InChIKey of (2S)-2-amino-3-[3-(1-phenyl-1-phosphonoethyl)phenyl]propanoic acid?
The InChIKey is QSFVOOCUFAWLIR-MYJWUSKBSA-N. The full InChI is InChI=1S/C17H20NO5P/c1-17(24(21,22)23,13-7-3-2-4-8-13)14-9-5-6-12(10-14)11-15(18)16(19)20/h2-10,15H,11,18H2,1H3,(H,19,20)(H2,21,22,23)/t15-,17?/m0/s1.
What are the key properties of (2S)-2-amino-3-[3-(1-phenyl-1-phosphonoethyl)phenyl]propanoic acid?
(2S)-2-amino-3-[3-(1-phenyl-1-phosphonoethyl)phenyl]propanoic acid has a molecular weight of 349.32 g/mol, XLogP of 2.08, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[3-(1-phenyl-1-phosphonoethyl)phenyl]propanoic acid is sourced from PubChem (CID 57029804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).