2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid

C9H9F2NO3 — CID 66204310

IUPAC2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid
SMILESNC(C(=O)O)C(O)c1cccc(F)c1F
InChIInChI=1S/C9H9F2NO3/c10-5-3-1-2-4(6(5)11)8(13)7(12)9(14)15/h1-3,7-8,13H,12H2,(H,14,15)
InChIKeyCGOQEPCTQKLUPZ-UHFFFAOYSA-N
MW217.17 g/mol
LogP0.41
Rot. Bonds3

About 2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid

2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid (PubChem CID 66204310) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is 2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid
PubChem CID66204310
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Name2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid
SMILESNC(C(=O)O)C(O)c1cccc(F)c1F
InChIInChI=1S/C9H9F2NO3/c10-5-3-1-2-4(6(5)11)8(13)7(12)9(14)15/h1-3,7-8,13H,12H2,(H,14,15)
InChIKeyCGOQEPCTQKLUPZ-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2,3-difluorophenyl)propan-1-ol
CID 63669406
2-amino-1-(2,3-difluorophenyl)-2-phenylethanol
CID 63669574
4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171877250
(2S,3R)-2-amino-3-hydroxy-3-(2,3,4,5-tetrafluorophenyl)propanoic acid
CID 167713944
methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863644
2,3-diamino-3-(2-fluorophenyl)propanoic acid
CID 116942285
2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 66206959
(2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 10243770
1-amino-1-(2,3-difluorophenyl)propan-2-ol
CID 55273515
2-amino-3-hydroxy-3-(3,4,5-trifluorophenyl)propanoic acid
CID 66207167
(2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid
CID 174754003
3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid
CID 63667269

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid?
The IUPAC name of 2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid (CID 66204310) is 2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid?
The canonical SMILES for 2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid is NC(C(=O)O)C(O)c1cccc(F)c1F.
What is the InChIKey of 2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid?
The InChIKey is CGOQEPCTQKLUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c10-5-3-1-2-4(6(5)11)8(13)7(12)9(14)15/h1-3,7-8,13H,12H2,(H,14,15).
What are the key properties of 2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid?
2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid has a molecular weight of 217.17 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 66204310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).