(3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid

C9H10FNO3 — CID 55270420

IUPAC(3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
SMILESN[C@H](CC(=O)O)c1cc(O)ccc1F
InChIInChI=1S/C9H10FNO3/c10-7-2-1-5(12)3-6(7)8(11)4-9(13)14/h1-3,8,12H,4,11H2,(H,13,14)/t8-/m1/s1
InChIKeySYNJIUYBCFNYAV-MRVPVSSYSA-N
MW199.18 g/mol
LogP1.01
Rot. Bonds3

About (3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid

(3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid (PubChem CID 55270420) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
PubChem CID55270420
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name(3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
SMILESN[C@H](CC(=O)O)c1cc(O)ccc1F
InChIInChI=1S/C9H10FNO3/c10-7-2-1-5(12)3-6(7)8(11)4-9(13)14/h1-3,8,12H,4,11H2,(H,13,14)/t8-/m1/s1
InChIKeySYNJIUYBCFNYAV-MRVPVSSYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(2,5-dihydroxyphenyl)propanoic acid
CID 53417335
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoic acid;hydrochloride
CID 162344141
3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid
CID 55269173
3-(1-amino-2-hydroxyethyl)-4-fluorophenol
CID 55296620
(3S)-3-amino-3-(2-bromo-5-hydroxyphenyl)propanoic acid
CID 130706996
(3S)-3-amino-3-(2,4-dihydroxyphenyl)propanoic acid
CID 9152250
3-amino-3-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propanoic acid
CID 84703787
(3S)-3-amino-3-[5-(2,4-difluorophenyl)-2-fluorophenyl]propanoic acid
CID 135366913
3-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoic acid
CID 53417356
(3R)-3-amino-3-(4-amino-2-fluorophenyl)propanoic acid
CID 130625917
3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid
CID 84782589
(3S)-3-amino-3-(5-fluoro-2-hydroxyphenyl)propanoic acid;hydrochloride
CID 162344213

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid (CID 55270420) is (3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid is N[C@H](CC(=O)O)c1cc(O)ccc1F.
What is the InChIKey of (3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid?
The InChIKey is SYNJIUYBCFNYAV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10FNO3/c10-7-2-1-5(12)3-6(7)8(11)4-9(13)14/h1-3,8,12H,4,11H2,(H,13,14)/t8-/m1/s1.
What are the key properties of (3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid?
(3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid has a molecular weight of 199.18 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 55270420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).