(2R)-2-amino-2-fluoro-3-phenylpropanoic acid

C9H10FNO2 — CID 54456970

IUPAC(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
SMILESN[C@@](F)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H10FNO2/c10-9(11,8(12)13)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H,12,13)/t9-/m0/s1
InChIKeyWYWLYZBQCIXWEU-VIFPVBQESA-N
MW183.18 g/mol
LogP0.94
Rot. Bonds3

About (2R)-2-amino-2-fluoro-3-phenylpropanoic acid

(2R)-2-amino-2-fluoro-3-phenylpropanoic acid (PubChem CID 54456970) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is (2R)-2-amino-2-fluoro-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
PubChem CID54456970
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
SMILESN[C@@](F)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H10FNO2/c10-9(11,8(12)13)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H,12,13)/t9-/m0/s1
InChIKeyWYWLYZBQCIXWEU-VIFPVBQESA-N
XLogP0.94
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (2R)-2-amino-2-fluoro-3-phenylpropanoic 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

2,2-difluoro-3-phenylpropanoic acid
CID 69365338
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
(2R)-2-amino-2-chloro-3-phenylpropanoic acid
CID 21116120
(2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide
CID 135070263
2-amino-2-fluoro-3-phenylpropanoic acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 67784339
(2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid
CID 91046027
(2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid
CID 62705603
(2R)-2-amino-2-fluoro-3-(3-fluoro-4-hydroxyphenyl)propanoic acid
CID 67425515
2-benzyl-2-fluoro-3-oxobutanoic acid
CID 146169302
(2R)-2-(dihydroxyamino)-2-fluoro-3-phenylpropanoic acid
CID 87566865
1,1,1,2-tetrafluoro-3-phenylpropan-2-amine
CID 174465813
5-amino-2,2-dibenzylpentanoic acid
CID 175429444

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-fluoro-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-amino-2-fluoro-3-phenylpropanoic acid (CID 54456970) is (2R)-2-amino-2-fluoro-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-2-fluoro-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-amino-2-fluoro-3-phenylpropanoic acid is N[C@@](F)(Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-fluoro-3-phenylpropanoic acid?
The InChIKey is WYWLYZBQCIXWEU-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10FNO2/c10-9(11,8(12)13)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-fluoro-3-phenylpropanoic acid?
(2R)-2-amino-2-fluoro-3-phenylpropanoic acid has a molecular weight of 183.18 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-fluoro-3-phenylpropanoic acid is sourced from PubChem (CID 54456970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).