(2R)-2-(difluoromethylsulfonylamino)-4-methylpentanoic acid

C7H13F2NO4S — CID 28606706

IUPAC(2R)-2-(difluoromethylsulfonylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)C(F)F)C(=O)O
InChIInChI=1S/C7H13F2NO4S/c1-4(2)3-5(6(11)12)10-15(13,14)7(8)9/h4-5,7,10H,3H2,1-2H3,(H,11,12)/t5-/m1/s1
InChIKeyQFSNJZVSQZNVDP-RXMQYKEDSA-N
MW245.25 g/mol
LogP0.63
Rot. Bonds6

About (2R)-2-(difluoromethylsulfonylamino)-4-methylpentanoic acid

(2R)-2-(difluoromethylsulfonylamino)-4-methylpentanoic acid (PubChem CID 28606706) has the molecular formula C7H13F2NO4S and a molecular weight of 245.25 g/mol. Its IUPAC name is (2R)-2-(difluoromethylsulfonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-(difluoromethylsulfonylamino)-4-methylpentanoic acid
PubChem CID28606706
Molecular FormulaC7H13F2NO4S
Molecular Weight245.25 g/mol
Exact Mass245.05
IUPAC Name(2R)-2-(difluoromethylsulfonylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)C(F)F)C(=O)O
InChIInChI=1S/C7H13F2NO4S/c1-4(2)3-5(6(11)12)10-15(13,14)7(8)9/h4-5,7,10H,3H2,1-2H3,(H,11,12)/t5-/m1/s1
InChIKeyQFSNJZVSQZNVDP-RXMQYKEDSA-N
XLogP0.63
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(difluoromethylsulfonylamino)-4-methylpentanoic acid?
The IUPAC name of (2R)-2-(difluoromethylsulfonylamino)-4-methylpentanoic acid (CID 28606706) is (2R)-2-(difluoromethylsulfonylamino)-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-(difluoromethylsulfonylamino)-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-(difluoromethylsulfonylamino)-4-methylpentanoic acid is CC(C)C[C@@H](NS(=O)(=O)C(F)F)C(=O)O.
What is the InChIKey of (2R)-2-(difluoromethylsulfonylamino)-4-methylpentanoic acid?
The InChIKey is QFSNJZVSQZNVDP-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13F2NO4S/c1-4(2)3-5(6(11)12)10-15(13,14)7(8)9/h4-5,7,10H,3H2,1-2H3,(H,11,12)/t5-/m1/s1.
What are the key properties of (2R)-2-(difluoromethylsulfonylamino)-4-methylpentanoic acid?
(2R)-2-(difluoromethylsulfonylamino)-4-methylpentanoic acid has a molecular weight of 245.25 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(difluoromethylsulfonylamino)-4-methylpentanoic acid is sourced from PubChem (CID 28606706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).