(2R)-2,4-diamino-3,3-difluoro-4-oxobutanoic acid

C4H6F2N2O3 — CID 54485182

IUPAC(2R)-2,4-diamino-3,3-difluoro-4-oxobutanoic acid
SMILESNC(=O)C(F)(F)[C@H](N)C(=O)O
InChIInChI=1S/C4H6F2N2O3/c5-4(6,3(8)11)1(7)2(9)10/h1H,7H2,(H2,8,11)(H,9,10)/t1-/m1/s1
InChIKeyXRUMRFOXEURSQI-PVQJCKRUSA-N
MW168.10 g/mol
LogP-1.48
Rot. Bonds3

About (2R)-2,4-diamino-3,3-difluoro-4-oxobutanoic acid

(2R)-2,4-diamino-3,3-difluoro-4-oxobutanoic acid (PubChem CID 54485182) has the molecular formula C4H6F2N2O3 and a molecular weight of 168.10 g/mol. Its IUPAC name is (2R)-2,4-diamino-3,3-difluoro-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2,4-diamino-3,3-difluoro-4-oxobutanoic acid
PubChem CID54485182
Molecular FormulaC4H6F2N2O3
Molecular Weight168.10 g/mol
Exact Mass168.03
IUPAC Name(2R)-2,4-diamino-3,3-difluoro-4-oxobutanoic acid
SMILESNC(=O)C(F)(F)[C@H](N)C(=O)O
InChIInChI=1S/C4H6F2N2O3/c5-4(6,3(8)11)1(7)2(9)10/h1H,7H2,(H2,8,11)(H,9,10)/t1-/m1/s1
InChIKeyXRUMRFOXEURSQI-PVQJCKRUSA-N
XLogP-1.48
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.10
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2,4-diamino-3,3-difluoro-4-oxobutanoic 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 (2R)-2,4-diamino-3,3-difluoro-4-oxobutanoic acid?
The IUPAC name of (2R)-2,4-diamino-3,3-difluoro-4-oxobutanoic acid (CID 54485182) is (2R)-2,4-diamino-3,3-difluoro-4-oxobutanoic acid.
What is the SMILES notation for (2R)-2,4-diamino-3,3-difluoro-4-oxobutanoic acid?
The canonical SMILES for (2R)-2,4-diamino-3,3-difluoro-4-oxobutanoic acid is NC(=O)C(F)(F)[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2,4-diamino-3,3-difluoro-4-oxobutanoic acid?
The InChIKey is XRUMRFOXEURSQI-PVQJCKRUSA-N. The full InChI is InChI=1S/C4H6F2N2O3/c5-4(6,3(8)11)1(7)2(9)10/h1H,7H2,(H2,8,11)(H,9,10)/t1-/m1/s1.
What are the key properties of (2R)-2,4-diamino-3,3-difluoro-4-oxobutanoic acid?
(2R)-2,4-diamino-3,3-difluoro-4-oxobutanoic acid has a molecular weight of 168.10 g/mol, XLogP of -1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-diamino-3,3-difluoro-4-oxobutanoic acid is sourced from PubChem (CID 54485182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).