(2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid

C9H10FNO3 — CID 130618697

IUPAC(2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid
SMILESN[C@](CO)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO3/c10-7-3-1-6(2-4-7)9(11,5-12)8(13)14/h1-4,12H,5,11H2,(H,13,14)/t9-/m0/s1
InChIKeyJOYGFEQIGOSZMA-VIFPVBQESA-N
MW199.18 g/mol
LogP0.06
Rot. Bonds3

About (2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid

(2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid (PubChem CID 130618697) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid
PubChem CID130618697
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name(2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid
SMILESN[C@](CO)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO3/c10-7-3-1-6(2-4-7)9(11,5-12)8(13)14/h1-4,12H,5,11H2,(H,13,14)/t9-/m0/s1
InChIKeyJOYGFEQIGOSZMA-VIFPVBQESA-N
XLogP0.06
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid (CID 130618697) is (2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid is N[C@](CO)(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid?
The InChIKey is JOYGFEQIGOSZMA-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10FNO3/c10-7-3-1-6(2-4-7)9(11,5-12)8(13)14/h1-4,12H,5,11H2,(H,13,14)/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid?
(2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid has a molecular weight of 199.18 g/mol, XLogP of 0.06, 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-(4-fluorophenyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 130618697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).