3-(2,2-difluoroethylamino)propanoic acid

C5H9F2NO2 — CID 60922030

IUPAC3-(2,2-difluoroethylamino)propanoic acid
SMILESO=C(O)CCNCC(F)F
InChIInChI=1S/C5H9F2NO2/c6-4(7)3-8-2-1-5(9)10/h4,8H,1-3H2,(H,9,10)
InChIKeyTWJZFTMIOMEZKI-UHFFFAOYSA-N
MW153.13 g/mol
LogP0.32
Rot. Bonds5

About 3-(2,2-difluoroethylamino)propanoic acid

3-(2,2-difluoroethylamino)propanoic acid (PubChem CID 60922030) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is 3-(2,2-difluoroethylamino)propanoic acid.

Molecular Properties

Compound Name3-(2,2-difluoroethylamino)propanoic acid
PubChem CID60922030
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Name3-(2,2-difluoroethylamino)propanoic acid
SMILESO=C(O)CCNCC(F)F
InChIInChI=1S/C5H9F2NO2/c6-4(7)3-8-2-1-5(9)10/h4,8H,1-3H2,(H,9,10)
InChIKeyTWJZFTMIOMEZKI-UHFFFAOYSA-N
XLogP0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2,2-difluoroethylamino)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-difluoroethylamino)propanoic acid?
The IUPAC name of 3-(2,2-difluoroethylamino)propanoic acid (CID 60922030) is 3-(2,2-difluoroethylamino)propanoic acid.
What is the SMILES notation for 3-(2,2-difluoroethylamino)propanoic acid?
The canonical SMILES for 3-(2,2-difluoroethylamino)propanoic acid is O=C(O)CCNCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethylamino)propanoic acid?
The InChIKey is TWJZFTMIOMEZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c6-4(7)3-8-2-1-5(9)10/h4,8H,1-3H2,(H,9,10).
What are the key properties of 3-(2,2-difluoroethylamino)propanoic acid?
3-(2,2-difluoroethylamino)propanoic acid has a molecular weight of 153.13 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylamino)propanoic acid is sourced from PubChem (CID 60922030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).