(2R)-2-amino-2-fluoro-3-(3-fluoro-4-hydroxyphenyl)propanoic acid

C9H9F2NO3 — CID 67425515

IUPAC(2R)-2-amino-2-fluoro-3-(3-fluoro-4-hydroxyphenyl)propanoic acid
SMILESN[C@@](F)(Cc1ccc(O)c(F)c1)C(=O)O
InChIInChI=1S/C9H9F2NO3/c10-6-3-5(1-2-7(6)13)4-9(11,12)8(14)15/h1-3,13H,4,12H2,(H,14,15)/t9-/m0/s1
InChIKeyDWCPLQYHQMZRPX-VIFPVBQESA-N
MW217.17 g/mol
LogP0.78
Rot. Bonds3

About (2R)-2-amino-2-fluoro-3-(3-fluoro-4-hydroxyphenyl)propanoic acid

(2R)-2-amino-2-fluoro-3-(3-fluoro-4-hydroxyphenyl)propanoic acid (PubChem CID 67425515) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is (2R)-2-amino-2-fluoro-3-(3-fluoro-4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-fluoro-3-(3-fluoro-4-hydroxyphenyl)propanoic acid
PubChem CID67425515
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Name(2R)-2-amino-2-fluoro-3-(3-fluoro-4-hydroxyphenyl)propanoic acid
SMILESN[C@@](F)(Cc1ccc(O)c(F)c1)C(=O)O
InChIInChI=1S/C9H9F2NO3/c10-6-3-5(1-2-7(6)13)4-9(11,12)8(14)15/h1-3,13H,4,12H2,(H,14,15)/t9-/m0/s1
InChIKeyDWCPLQYHQMZRPX-VIFPVBQESA-N
XLogP0.78
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(3-(18F)fluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 176816292
(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
CID 54456970
2-amino-2-[(3,4-difluorophenyl)methyl]-3,3,3-trifluoropropanoic acid
CID 82925210
2-[(3,4-difluorophenyl)methyl]-2-ethylbutanoic acid
CID 82919875
2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid
CID 55272926
3-amino-2-[(3,4-difluorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899920
diethyl 2-[(3-fluoro-4-hydroxyphenyl)methyl]propanedioate
CID 71321162
(2S)-2-amino-2-[(3,4-dihydroxyphenyl)methyl]-3-hydroxypropanoic acid
CID 70547377
2-amino-3-(4-hydroxy-3-(123I)iodophenyl)-2-methylpropanoic acid
CID 131886176
[5-(2-amino-2-carboxypropyl)-2-hydroxyphenyl](211At)astatine-211
CID 155761208
2,2-diamino-3-(3,4,5-trifluorophenyl)propanoic acid
CID 129317743
4,4,4-trifluoro-3-[(3-fluoro-4-hydroxyphenyl)methyl]-N-methyl-N-phenylbutanamide
CID 157203592

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-fluoro-3-(3-fluoro-4-hydroxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-fluoro-3-(3-fluoro-4-hydroxyphenyl)propanoic acid (CID 67425515) is (2R)-2-amino-2-fluoro-3-(3-fluoro-4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-fluoro-3-(3-fluoro-4-hydroxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-fluoro-3-(3-fluoro-4-hydroxyphenyl)propanoic acid is N[C@@](F)(Cc1ccc(O)c(F)c1)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-fluoro-3-(3-fluoro-4-hydroxyphenyl)propanoic acid?
The InChIKey is DWCPLQYHQMZRPX-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9F2NO3/c10-6-3-5(1-2-7(6)13)4-9(11,12)8(14)15/h1-3,13H,4,12H2,(H,14,15)/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-fluoro-3-(3-fluoro-4-hydroxyphenyl)propanoic acid?
(2R)-2-amino-2-fluoro-3-(3-fluoro-4-hydroxyphenyl)propanoic acid has a molecular weight of 217.17 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-fluoro-3-(3-fluoro-4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 67425515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).