(3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid

C9H9F2NO3 — CID 24764399

IUPAC(3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid
SMILESN[C@H](c1ccc(O)cc1)C(F)(F)C(=O)O
InChIInChI=1S/C9H9F2NO3/c10-9(11,8(14)15)7(12)5-1-3-6(13)4-2-5/h1-4,7,13H,12H2,(H,14,15)/t7-/m1/s1
InChIKeyGYPNQHABJBHUCN-SSDOTTSWSA-N
MW217.17 g/mol
LogP1.11
Rot. Bonds3

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

(3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 24764399) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is (3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid
PubChem CID24764399
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Name(3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid
SMILESN[C@H](c1ccc(O)cc1)C(F)(F)C(=O)O
InChIInChI=1S/C9H9F2NO3/c10-9(11,8(14)15)7(12)5-1-3-6(13)4-2-5/h1-4,7,13H,12H2,(H,14,15)/t7-/m1/s1
InChIKeyGYPNQHABJBHUCN-SSDOTTSWSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of (3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid (CID 24764399) is (3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for (3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid is N[C@H](c1ccc(O)cc1)C(F)(F)C(=O)O.
What is the InChIKey of (3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is GYPNQHABJBHUCN-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H9F2NO3/c10-9(11,8(14)15)7(12)5-1-3-6(13)4-2-5/h1-4,7,13H,12H2,(H,14,15)/t7-/m1/s1.
What are the key properties of (3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid?
(3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 217.17 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 24764399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).