(2S)-2-amino-3-[3-(2-fluorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid

C16H17FNO5P — CID 11792349

IUPAC(2S)-2-amino-3-[3-(2-fluorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid
SMILESN[C@@H](Cc1cc(CP(=O)(O)O)cc(-c2ccccc2F)c1)C(=O)O
InChIInChI=1S/C16H17FNO5P/c17-14-4-2-1-3-13(14)12-6-10(8-15(18)16(19)20)5-11(7-12)9-24(21,22)23/h1-7,15H,8-9,18H2,(H,19,20)(H2,21,22,23)/t15-/m0/s1
InChIKeySDHBFIKRJZQKLR-HNNXBMFYSA-N
MW353.29 g/mol
LogP2.12
Rot. Bonds6

About (2S)-2-amino-3-[3-(2-fluorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid

(2S)-2-amino-3-[3-(2-fluorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid (PubChem CID 11792349) has the molecular formula C16H17FNO5P and a molecular weight of 353.29 g/mol. Its IUPAC name is (2S)-2-amino-3-[3-(2-fluorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[3-(2-fluorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid
PubChem CID11792349
Molecular FormulaC16H17FNO5P
Molecular Weight353.29 g/mol
Exact Mass353.08
IUPAC Name(2S)-2-amino-3-[3-(2-fluorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid
SMILESN[C@@H](Cc1cc(CP(=O)(O)O)cc(-c2ccccc2F)c1)C(=O)O
InChIInChI=1S/C16H17FNO5P/c17-14-4-2-1-3-13(14)12-6-10(8-15(18)16(19)20)5-11(7-12)9-24(21,22)23/h1-7,15H,8-9,18H2,(H,19,20)(H2,21,22,23)/t15-/m0/s1
InChIKeySDHBFIKRJZQKLR-HNNXBMFYSA-N
XLogP2.12
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride
CID 118157927
2-amino-3-[4-(phosphonomethyl)phenyl]propanoic acid;hydrochloride
CID 14102034
2-amino-3-(3,4-difluoro-5-phenylphenyl)propanoic acid
CID 117443881
(2S)-2-amino-3-phenylpropanoic acid;phosphoric acid
CID 69256831
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid
CID 170879935
alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride
CID 173334199
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[3-(2-fluorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[3-(2-fluorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid (CID 11792349) is (2S)-2-amino-3-[3-(2-fluorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[3-(2-fluorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[3-(2-fluorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid is N[C@@H](Cc1cc(CP(=O)(O)O)cc(-c2ccccc2F)c1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[3-(2-fluorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid?
The InChIKey is SDHBFIKRJZQKLR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17FNO5P/c17-14-4-2-1-3-13(14)12-6-10(8-15(18)16(19)20)5-11(7-12)9-24(21,22)23/h1-7,15H,8-9,18H2,(H,19,20)(H2,21,22,23)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-[3-(2-fluorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid?
(2S)-2-amino-3-[3-(2-fluorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid has a molecular weight of 353.29 g/mol, XLogP of 2.12, 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-(2-fluorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid is sourced from PubChem (CID 11792349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).