2-(propan-2-ylsulfonylamino)butanoic acid

C7H15NO4S — CID 60859937

IUPAC2-(propan-2-ylsulfonylamino)butanoic acid
SMILESCCC(NS(=O)(=O)C(C)C)C(=O)O
InChIInChI=1S/C7H15NO4S/c1-4-6(7(9)10)8-13(11,12)5(2)3/h5-6,8H,4H2,1-3H3,(H,9,10)
InChIKeyHVXFDTXCPFJGKP-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.18
Rot. Bonds5

About 2-(propan-2-ylsulfonylamino)butanoic acid

2-(propan-2-ylsulfonylamino)butanoic acid (PubChem CID 60859937) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(propan-2-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name2-(propan-2-ylsulfonylamino)butanoic acid
PubChem CID60859937
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name2-(propan-2-ylsulfonylamino)butanoic acid
SMILESCCC(NS(=O)(=O)C(C)C)C(=O)O
InChIInChI=1S/C7H15NO4S/c1-4-6(7(9)10)8-13(11,12)5(2)3/h5-6,8H,4H2,1-3H3,(H,9,10)
InChIKeyHVXFDTXCPFJGKP-UHFFFAOYSA-N
XLogP0.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methionine Sulfoximine
CID 89034
L-Cysteic acid
CID 72886
Methionine Sulfoxide
CID 158980
DL-Cysteic acid
CID 25701
Methionine sulfoxide, DL-
CID 847
Methionine Sulfone
CID 445282
DL-Methionine-DL-sulfoximine
CID 16118
Homocysteic acid
CID 92117
Butanoic acid, 2-amino-4-sulfino-, (2S)-
CID 75896
Butanoic acid, 2-amino-4-(methylsulfonyl)-
CID 69961
L-Homocysteic acid
CID 177491
3-sulfino-L-alanine(1-)
CID 6398956

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylsulfonylamino)butanoic acid?
The IUPAC name of 2-(propan-2-ylsulfonylamino)butanoic acid (CID 60859937) is 2-(propan-2-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 2-(propan-2-ylsulfonylamino)butanoic acid?
The canonical SMILES for 2-(propan-2-ylsulfonylamino)butanoic acid is CCC(NS(=O)(=O)C(C)C)C(=O)O.
What is the InChIKey of 2-(propan-2-ylsulfonylamino)butanoic acid?
The InChIKey is HVXFDTXCPFJGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-4-6(7(9)10)8-13(11,12)5(2)3/h5-6,8H,4H2,1-3H3,(H,9,10).
What are the key properties of 2-(propan-2-ylsulfonylamino)butanoic acid?
2-(propan-2-ylsulfonylamino)butanoic acid has a molecular weight of 209.27 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 60859937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).