2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid

C10H12FNO4 — CID 84792577

IUPAC2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid
SMILESCOc1ccc(O)c(CC(N)C(=O)O)c1F
InChIInChI=1S/C10H12FNO4/c1-16-8-3-2-7(13)5(9(8)11)4-6(12)10(14)15/h2-3,6,13H,4,12H2,1H3,(H,14,15)
InChIKeyUZNDRIOETKEYGR-UHFFFAOYSA-N
MW229.21 g/mol
LogP0.49
Rot. Bonds4

About 2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid

2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid (PubChem CID 84792577) has the molecular formula C10H12FNO4 and a molecular weight of 229.21 g/mol. Its IUPAC name is 2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid
PubChem CID84792577
Molecular FormulaC10H12FNO4
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid
SMILESCOc1ccc(O)c(CC(N)C(=O)O)c1F
InChIInChI=1S/C10H12FNO4/c1-16-8-3-2-7(13)5(9(8)11)4-6(12)10(14)15/h2-3,6,13H,4,12H2,1H3,(H,14,15)
InChIKeyUZNDRIOETKEYGR-UHFFFAOYSA-N
XLogP0.49
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoic acid
CID 93478159
2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117468151
(2S)-2-amino-3-(2,6-difluoro-3-hydroxyphenyl)propanoic acid
CID 131883206
2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid
CID 146168544
2-amino-3-(3,6-dimethoxy-2-propan-2-ylphenyl)propanoic acid
CID 117421664
(2S)-2-amino-3-(3-ethoxy-2,6-difluorophenyl)propanoic acid
CID 95604286
3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid
CID 84792120
2-amino-3-(3-bromo-2,6-difluoro-4-methoxyphenyl)propanoic acid
CID 117494622
2-amino-3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid
CID 117329895
ethyl 2-amino-3-(6-chloro-2-fluoro-3-methoxyphenyl)propanoate
CID 170885238
2-amino-3-(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propanoic acid
CID 117430623
2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid
CID 117323060

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid (CID 84792577) is 2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid is COc1ccc(O)c(CC(N)C(=O)O)c1F.
What is the InChIKey of 2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid?
The InChIKey is UZNDRIOETKEYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4/c1-16-8-3-2-7(13)5(9(8)11)4-6(12)10(14)15/h2-3,6,13H,4,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid?
2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid has a molecular weight of 229.21 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 84792577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).