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

C9H10FNO3 — CID 10104205

IUPAC(2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxypropanoic acid
SMILESN[C@@H](C(=O)O)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO3/c10-6-3-1-5(2-4-6)8(12)7(11)9(13)14/h1-4,7-8,12H,11H2,(H,13,14)/t7-,8+/m1/s1
InChIKeyYSNNRQFRXBIYIZ-SFYZADRCSA-N
MW199.18 g/mol
LogP0.27
Rot. Bonds3

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

(2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxypropanoic acid (PubChem CID 10104205) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is (2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxypropanoic acid
PubChem CID10104205
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name(2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxypropanoic acid
SMILESN[C@@H](C(=O)O)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO3/c10-6-3-1-5(2-4-6)8(12)7(11)9(13)14/h1-4,7-8,12H,11H2,(H,13,14)/t7-,8+/m1/s1
InChIKeyYSNNRQFRXBIYIZ-SFYZADRCSA-N
XLogP0.27
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 ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxypropanoic acid?
The IUPAC name of (2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxypropanoic acid (CID 10104205) is (2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxypropanoic acid.
What is the SMILES notation for (2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxypropanoic acid?
The canonical SMILES for (2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxypropanoic acid is N[C@@H](C(=O)O)[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of (2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxypropanoic acid?
The InChIKey is YSNNRQFRXBIYIZ-SFYZADRCSA-N. The full InChI is InChI=1S/C9H10FNO3/c10-6-3-1-5(2-4-6)8(12)7(11)9(13)14/h1-4,7-8,12H,11H2,(H,13,14)/t7-,8+/m1/s1.
What are the key properties of (2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxypropanoic acid?
(2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxypropanoic acid has a molecular weight of 199.18 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 10104205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).