2-amino-4,4-difluoro-3-(4-hydroxyphenyl)butanoic acid

C10H11F2NO3 — CID 4692767

IUPAC2-amino-4,4-difluoro-3-(4-hydroxyphenyl)butanoic acid
SMILESNC(C(=O)O)C(c1ccc(O)cc1)C(F)F
InChIInChI=1S/C10H11F2NO3/c11-9(12)7(8(13)10(15)16)5-1-3-6(14)4-2-5/h1-4,7-9,14H,13H2,(H,15,16)
InChIKeyOOVZUNBEXPVNRR-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.15
Rot. Bonds4

About 2-amino-4,4-difluoro-3-(4-hydroxyphenyl)butanoic acid

2-amino-4,4-difluoro-3-(4-hydroxyphenyl)butanoic acid (PubChem CID 4692767) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is 2-amino-4,4-difluoro-3-(4-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name2-amino-4,4-difluoro-3-(4-hydroxyphenyl)butanoic acid
PubChem CID4692767
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name2-amino-4,4-difluoro-3-(4-hydroxyphenyl)butanoic acid
SMILESNC(C(=O)O)C(c1ccc(O)cc1)C(F)F
InChIInChI=1S/C10H11F2NO3/c11-9(12)7(8(13)10(15)16)5-1-3-6(14)4-2-5/h1-4,7-9,14H,13H2,(H,15,16)
InChIKeyOOVZUNBEXPVNRR-UHFFFAOYSA-N
XLogP1.15
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-4,4-difluoro-3-(4-hydroxyphenyl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-difluoro-3-(4-hydroxyphenyl)butanoic acid?
The IUPAC name of 2-amino-4,4-difluoro-3-(4-hydroxyphenyl)butanoic acid (CID 4692767) is 2-amino-4,4-difluoro-3-(4-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 2-amino-4,4-difluoro-3-(4-hydroxyphenyl)butanoic acid?
The canonical SMILES for 2-amino-4,4-difluoro-3-(4-hydroxyphenyl)butanoic acid is NC(C(=O)O)C(c1ccc(O)cc1)C(F)F.
What is the InChIKey of 2-amino-4,4-difluoro-3-(4-hydroxyphenyl)butanoic acid?
The InChIKey is OOVZUNBEXPVNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c11-9(12)7(8(13)10(15)16)5-1-3-6(14)4-2-5/h1-4,7-9,14H,13H2,(H,15,16).
What are the key properties of 2-amino-4,4-difluoro-3-(4-hydroxyphenyl)butanoic acid?
2-amino-4,4-difluoro-3-(4-hydroxyphenyl)butanoic acid has a molecular weight of 231.20 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-difluoro-3-(4-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 4692767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).