2,2-difluoro-3-[(3-methyloxolan-3-yl)amino]propanoic acid

C8H13F2NO3 — CID 165466861

IUPAC2,2-difluoro-3-[(3-methyloxolan-3-yl)amino]propanoic acid
SMILESCC1(NCC(F)(F)C(=O)O)CCOC1
InChIInChI=1S/C8H13F2NO3/c1-7(2-3-14-5-7)11-4-8(9,10)6(12)13/h11H,2-5H2,1H3,(H,12,13)
InChIKeyFETQTHHTGLRTKZ-UHFFFAOYSA-N
MW209.19 g/mol
LogP0.47
Rot. Bonds4

About 2,2-difluoro-3-[(3-methyloxolan-3-yl)amino]propanoic acid

2,2-difluoro-3-[(3-methyloxolan-3-yl)amino]propanoic acid (PubChem CID 165466861) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 2,2-difluoro-3-[(3-methyloxolan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-[(3-methyloxolan-3-yl)amino]propanoic acid
PubChem CID165466861
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name2,2-difluoro-3-[(3-methyloxolan-3-yl)amino]propanoic acid
SMILESCC1(NCC(F)(F)C(=O)O)CCOC1
InChIInChI=1S/C8H13F2NO3/c1-7(2-3-14-5-7)11-4-8(9,10)6(12)13/h11H,2-5H2,1H3,(H,12,13)
InChIKeyFETQTHHTGLRTKZ-UHFFFAOYSA-N
XLogP0.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoro-3-[(3-methyloxolan-3-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-[(3-methyloxolan-3-yl)amino]propanoic acid?
The IUPAC name of 2,2-difluoro-3-[(3-methyloxolan-3-yl)amino]propanoic acid (CID 165466861) is 2,2-difluoro-3-[(3-methyloxolan-3-yl)amino]propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-[(3-methyloxolan-3-yl)amino]propanoic acid?
The canonical SMILES for 2,2-difluoro-3-[(3-methyloxolan-3-yl)amino]propanoic acid is CC1(NCC(F)(F)C(=O)O)CCOC1.
What is the InChIKey of 2,2-difluoro-3-[(3-methyloxolan-3-yl)amino]propanoic acid?
The InChIKey is FETQTHHTGLRTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-7(2-3-14-5-7)11-4-8(9,10)6(12)13/h11H,2-5H2,1H3,(H,12,13).
What are the key properties of 2,2-difluoro-3-[(3-methyloxolan-3-yl)amino]propanoic acid?
2,2-difluoro-3-[(3-methyloxolan-3-yl)amino]propanoic acid has a molecular weight of 209.19 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(3-methyloxolan-3-yl)amino]propanoic acid is sourced from PubChem (CID 165466861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).