2-acetamido-3-(difluoromethoxy)propanoic acid

C6H9F2NO4 — CID 76559628

IUPAC2-acetamido-3-(difluoromethoxy)propanoic acid
SMILESCC(=O)NC(COC(F)F)C(=O)O
InChIInChI=1S/C6H9F2NO4/c1-3(10)9-4(5(11)12)2-13-6(7)8/h4,6H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyFELYLFOJNWLPLA-UHFFFAOYSA-N
MW197.14 g/mol
LogP-0.19
Rot. Bonds5

About 2-acetamido-3-(difluoromethoxy)propanoic acid

2-acetamido-3-(difluoromethoxy)propanoic acid (PubChem CID 76559628) has the molecular formula C6H9F2NO4 and a molecular weight of 197.14 g/mol. Its IUPAC name is 2-acetamido-3-(difluoromethoxy)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(difluoromethoxy)propanoic acid
PubChem CID76559628
Molecular FormulaC6H9F2NO4
Molecular Weight197.14 g/mol
Exact Mass197.05
IUPAC Name2-acetamido-3-(difluoromethoxy)propanoic acid
SMILESCC(=O)NC(COC(F)F)C(=O)O
InChIInChI=1S/C6H9F2NO4/c1-3(10)9-4(5(11)12)2-13-6(7)8/h4,6H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyFELYLFOJNWLPLA-UHFFFAOYSA-N
XLogP-0.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-acetamido-3-(difluoromethoxy)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

Related Compounds

2-acetamido-3-(4-methylpentan-2-yloxy)propanoic acid
CID 65442972
3-(difluoromethoxy)-2-[[3-(difluoromethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
CID 90040908
(2S)-2-acetamido-4-fluoropentanedioic acid
CID 139719254
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
tris(2-acetamidobutanedioic acid);phosphane
CID 174666186
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357
2-acetamido-3-(4-fluorophenoxy)propanoic acid
CID 65442176
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(difluoromethoxy)propanoyl]amino]-3-(difluoromethoxy)propanoic acid
CID 118276477
(2R)-2-acetamido-3-but-3-enoxypropanoic acid
CID 46900123
2-acetamido-3-(difluoromethylsulfinyl)propanoic acid
CID 107768785
2-acetamido-3-(4-methylpentoxy)propanoic acid
CID 65443172
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(difluoromethoxy)propanoic acid?
The IUPAC name of 2-acetamido-3-(difluoromethoxy)propanoic acid (CID 76559628) is 2-acetamido-3-(difluoromethoxy)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(difluoromethoxy)propanoic acid?
The canonical SMILES for 2-acetamido-3-(difluoromethoxy)propanoic acid is CC(=O)NC(COC(F)F)C(=O)O.
What is the InChIKey of 2-acetamido-3-(difluoromethoxy)propanoic acid?
The InChIKey is FELYLFOJNWLPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO4/c1-3(10)9-4(5(11)12)2-13-6(7)8/h4,6H,2H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-acetamido-3-(difluoromethoxy)propanoic acid?
2-acetamido-3-(difluoromethoxy)propanoic acid has a molecular weight of 197.14 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(difluoromethoxy)propanoic acid is sourced from PubChem (CID 76559628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).