2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid

C8H15F2NO3 — CID 165465852

IUPAC2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid
SMILESCCC(C)(CO)NCC(F)(F)C(=O)O
InChIInChI=1S/C8H15F2NO3/c1-3-7(2,5-12)11-4-8(9,10)6(13)14/h11-12H,3-5H2,1-2H3,(H,13,14)
InChIKeyOHNDAFCHFMMLMC-UHFFFAOYSA-N
MW211.21 g/mol
LogP0.46
Rot. Bonds6

About 2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid

2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid (PubChem CID 165465852) has the molecular formula C8H15F2NO3 and a molecular weight of 211.21 g/mol. Its IUPAC name is 2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid
PubChem CID165465852
Molecular FormulaC8H15F2NO3
Molecular Weight211.21 g/mol
Exact Mass211.10
IUPAC Name2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid
SMILESCCC(C)(CO)NCC(F)(F)C(=O)O
InChIInChI=1S/C8H15F2NO3/c1-3-7(2,5-12)11-4-8(9,10)6(13)14/h11-12H,3-5H2,1-2H3,(H,13,14)
InChIKeyOHNDAFCHFMMLMC-UHFFFAOYSA-N
XLogP0.46
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic 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 2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid?
The IUPAC name of 2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid (CID 165465852) is 2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid?
The canonical SMILES for 2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid is CCC(C)(CO)NCC(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid?
The InChIKey is OHNDAFCHFMMLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO3/c1-3-7(2,5-12)11-4-8(9,10)6(13)14/h11-12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid?
2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid has a molecular weight of 211.21 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid is sourced from PubChem (CID 165465852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).