2,4-diamino-2-(difluoromethyl)butanoic acid

C5H10F2N2O2 — CID 58963171

IUPAC2,4-diamino-2-(difluoromethyl)butanoic acid
SMILESNCCC(N)(C(=O)O)C(F)F
InChIInChI=1S/C5H10F2N2O2/c6-3(7)5(9,1-2-8)4(10)11/h3H,1-2,8-9H2,(H,10,11)
InChIKeyRGNPTAZEOVHVED-UHFFFAOYSA-N
MW168.14 g/mol
LogP-0.62
Rot. Bonds4

About 2,4-diamino-2-(difluoromethyl)butanoic acid

2,4-diamino-2-(difluoromethyl)butanoic acid (PubChem CID 58963171) has the molecular formula C5H10F2N2O2 and a molecular weight of 168.14 g/mol. Its IUPAC name is 2,4-diamino-2-(difluoromethyl)butanoic acid.

Molecular Properties

Compound Name2,4-diamino-2-(difluoromethyl)butanoic acid
PubChem CID58963171
Molecular FormulaC5H10F2N2O2
Molecular Weight168.14 g/mol
Exact Mass168.07
IUPAC Name2,4-diamino-2-(difluoromethyl)butanoic acid
SMILESNCCC(N)(C(=O)O)C(F)F
InChIInChI=1S/C5H10F2N2O2/c6-3(7)5(9,1-2-8)4(10)11/h3H,1-2,8-9H2,(H,10,11)
InChIKeyRGNPTAZEOVHVED-UHFFFAOYSA-N
XLogP-0.62
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(aminomethyl)-4,4,4-trifluorobutanoic acid
CID 96739926
2,4-Diamino-2-methylbutanoic acid;hydrochloride
CID 90672895
2,4-Diamino-2-methylbutanoic acid
CID 19431220
4-Amino-3-(trifluoromethyl)butanoic acid
CID 65439702
4-Amino-2-(trifluoromethyl)butanoic acid
CID 83914525
(2S)-2-amino-3-carbamoyl-4,4-difluorobutanoic acid
CID 87815166
2-Amino-3-carbamoyl-4,4-difluorobutanoic acid
CID 87815167
(2S,4S)-2,4-diamino-5,5,5-trifluoropentanoic acid
CID 95241053
(2S,4R)-2,4-diamino-5,5,5-trifluoropentanoic acid
CID 95241055
2,4-Diaminobutanoic acid;2,2,2-trifluoroacetic acid
CID 172696945
2,4-Diamino-5,5,5-trifluoropentanoic acid
CID 54594758
2-Amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 61911992

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-2-(difluoromethyl)butanoic acid?
The IUPAC name of 2,4-diamino-2-(difluoromethyl)butanoic acid (CID 58963171) is 2,4-diamino-2-(difluoromethyl)butanoic acid.
What is the SMILES notation for 2,4-diamino-2-(difluoromethyl)butanoic acid?
The canonical SMILES for 2,4-diamino-2-(difluoromethyl)butanoic acid is NCCC(N)(C(=O)O)C(F)F.
What is the InChIKey of 2,4-diamino-2-(difluoromethyl)butanoic acid?
The InChIKey is RGNPTAZEOVHVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O2/c6-3(7)5(9,1-2-8)4(10)11/h3H,1-2,8-9H2,(H,10,11).
What are the key properties of 2,4-diamino-2-(difluoromethyl)butanoic acid?
2,4-diamino-2-(difluoromethyl)butanoic acid has a molecular weight of 168.14 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-2-(difluoromethyl)butanoic acid is sourced from PubChem (CID 58963171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).