3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid

C8H14F2N2O4 — CID 107481744

IUPAC3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H14F2N2O4/c9-6(10)5-12(3-4-13)8(16)11-2-1-7(14)15/h6,13H,1-5H2,(H,11,16)(H,14,15)
InChIKeyWXFUZGYJDISVNJ-UHFFFAOYSA-N
MW240.21 g/mol
LogP-0.27
Rot. Bonds7

About 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid

3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid (PubChem CID 107481744) has the molecular formula C8H14F2N2O4 and a molecular weight of 240.21 g/mol. Its IUPAC name is 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid
PubChem CID107481744
Molecular FormulaC8H14F2N2O4
Molecular Weight240.21 g/mol
Exact Mass240.09
IUPAC Name3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H14F2N2O4/c9-6(10)5-12(3-4-13)8(16)11-2-1-7(14)15/h6,13H,1-5H2,(H,11,16)(H,14,15)
InChIKeyWXFUZGYJDISVNJ-UHFFFAOYSA-N
XLogP-0.27
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]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 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid (CID 107481744) is 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid is O=C(O)CCNC(=O)N(CCO)CC(F)F.
What is the InChIKey of 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid?
The InChIKey is WXFUZGYJDISVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O4/c9-6(10)5-12(3-4-13)8(16)11-2-1-7(14)15/h6,13H,1-5H2,(H,11,16)(H,14,15).
What are the key properties of 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid?
3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid has a molecular weight of 240.21 g/mol, XLogP of -0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 107481744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).