2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid

C9H10FNO3 — CID 55272926

IUPAC2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid
SMILESCC(N)(C(=O)O)c1ccc(O)c(F)c1
InChIInChI=1S/C9H10FNO3/c1-9(11,8(13)14)5-2-3-7(12)6(10)4-5/h2-4,12H,11H2,1H3,(H,13,14)
InChIKeyULTHYCRQUPFCCM-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.79
Rot. Bonds2

About 2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid

2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid (PubChem CID 55272926) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is 2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid
PubChem CID55272926
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid
SMILESCC(N)(C(=O)O)c1ccc(O)c(F)c1
InChIInChI=1S/C9H10FNO3/c1-9(11,8(13)14)5-2-3-7(12)6(10)4-5/h2-4,12H,11H2,1H3,(H,13,14)
InChIKeyULTHYCRQUPFCCM-UHFFFAOYSA-N
XLogP0.79
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid (CID 55272926) is 2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid is CC(N)(C(=O)O)c1ccc(O)c(F)c1.
What is the InChIKey of 2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid?
The InChIKey is ULTHYCRQUPFCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-9(11,8(13)14)5-2-3-7(12)6(10)4-5/h2-4,12H,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid?
2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid has a molecular weight of 199.18 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 55272926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).