2-amino-3-(3-bromo-5-fluorophenyl)-3-hydroxypropanoic acid

C9H9BrFNO3 — CID 130641311

IUPAC2-amino-3-(3-bromo-5-fluorophenyl)-3-hydroxypropanoic acid
SMILESNC(C(=O)O)C(O)c1cc(F)cc(Br)c1
InChIInChI=1S/C9H9BrFNO3/c10-5-1-4(2-6(11)3-5)8(13)7(12)9(14)15/h1-3,7-8,13H,12H2,(H,14,15)
InChIKeyNGPDAEBJKRRXFL-UHFFFAOYSA-N
MW278.08 g/mol
LogP1.03
Rot. Bonds3

About 2-amino-3-(3-bromo-5-fluorophenyl)-3-hydroxypropanoic acid

2-amino-3-(3-bromo-5-fluorophenyl)-3-hydroxypropanoic acid (PubChem CID 130641311) has the molecular formula C9H9BrFNO3 and a molecular weight of 278.08 g/mol. Its IUPAC name is 2-amino-3-(3-bromo-5-fluorophenyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-bromo-5-fluorophenyl)-3-hydroxypropanoic acid
PubChem CID130641311
Molecular FormulaC9H9BrFNO3
Molecular Weight278.08 g/mol
Exact Mass276.97
IUPAC Name2-amino-3-(3-bromo-5-fluorophenyl)-3-hydroxypropanoic acid
SMILESNC(C(=O)O)C(O)c1cc(F)cc(Br)c1
InChIInChI=1S/C9H9BrFNO3/c10-5-1-4(2-6(11)3-5)8(13)7(12)9(14)15/h1-3,7-8,13H,12H2,(H,14,15)
InChIKeyNGPDAEBJKRRXFL-UHFFFAOYSA-N
XLogP1.03
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.08
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-hydroxy-3-(3,4,5-trifluorophenyl)propanoic acid
CID 66207167
2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 66205536
(2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 174944828
4-(3-bromo-5-fluorophenyl)-3,4-dihydroxybutanamide
CID 171900262
(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol
CID 130982390
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747
(2S,3S)-3-amino-3-(3-bromo-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171267781
2-amino-3-hydroxy-3-phenylpropanoic acid
CID 66621998
(1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130039777
(1R)-1-(3-bromo-5-fluorophenyl)-2,2,2-trifluoroethanol
CID 124636890
(3R)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171240971
2-amino-3-(3-chloro-4-fluorophenyl)-3-hydroxypropanoic acid
CID 81155550

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-bromo-5-fluorophenyl)-3-hydroxypropanoic acid?
The IUPAC name of 2-amino-3-(3-bromo-5-fluorophenyl)-3-hydroxypropanoic acid (CID 130641311) is 2-amino-3-(3-bromo-5-fluorophenyl)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-amino-3-(3-bromo-5-fluorophenyl)-3-hydroxypropanoic acid?
The canonical SMILES for 2-amino-3-(3-bromo-5-fluorophenyl)-3-hydroxypropanoic acid is NC(C(=O)O)C(O)c1cc(F)cc(Br)c1.
What is the InChIKey of 2-amino-3-(3-bromo-5-fluorophenyl)-3-hydroxypropanoic acid?
The InChIKey is NGPDAEBJKRRXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO3/c10-5-1-4(2-6(11)3-5)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-(3-bromo-5-fluorophenyl)-3-hydroxypropanoic acid?
2-amino-3-(3-bromo-5-fluorophenyl)-3-hydroxypropanoic acid has a molecular weight of 278.08 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-bromo-5-fluorophenyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 130641311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).