2,2,3-trimethyl-3-(propan-2-ylsulfonylamino)butanoic acid

C10H21NO4S — CID 65266352

IUPAC2,2,3-trimethyl-3-(propan-2-ylsulfonylamino)butanoic acid
SMILESCC(C)S(=O)(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C10H21NO4S/c1-7(2)16(14,15)11-10(5,6)9(3,4)8(12)13/h7,11H,1-6H3,(H,12,13)
InChIKeyZSDLZTOFFCDKBV-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.20
Rot. Bonds5

About 2,2,3-trimethyl-3-(propan-2-ylsulfonylamino)butanoic acid

2,2,3-trimethyl-3-(propan-2-ylsulfonylamino)butanoic acid (PubChem CID 65266352) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(propan-2-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(propan-2-ylsulfonylamino)butanoic acid
PubChem CID65266352
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name2,2,3-trimethyl-3-(propan-2-ylsulfonylamino)butanoic acid
SMILESCC(C)S(=O)(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C10H21NO4S/c1-7(2)16(14,15)11-10(5,6)9(3,4)8(12)13/h7,11H,1-6H3,(H,12,13)
InChIKeyZSDLZTOFFCDKBV-UHFFFAOYSA-N
XLogP1.20
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(propan-2-ylsulfonylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(propan-2-ylsulfonylamino)butanoic acid (CID 65266352) is 2,2,3-trimethyl-3-(propan-2-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(propan-2-ylsulfonylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(propan-2-ylsulfonylamino)butanoic acid is CC(C)S(=O)(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(propan-2-ylsulfonylamino)butanoic acid?
The InChIKey is ZSDLZTOFFCDKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-7(2)16(14,15)11-10(5,6)9(3,4)8(12)13/h7,11H,1-6H3,(H,12,13).
What are the key properties of 2,2,3-trimethyl-3-(propan-2-ylsulfonylamino)butanoic acid?
2,2,3-trimethyl-3-(propan-2-ylsulfonylamino)butanoic acid has a molecular weight of 251.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(propan-2-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 65266352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).