2-(butylsulfonylamino)propanoic acid

C7H15NO4S — CID 4961700

IUPAC2-(butylsulfonylamino)propanoic acid
SMILESCCCCS(=O)(=O)NC(C)C(=O)O
InChIInChI=1S/C7H15NO4S/c1-3-4-5-13(11,12)8-6(2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyOZSRHFORCGVPJI-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.18
Rot. Bonds6

About 2-(butylsulfonylamino)propanoic acid

2-(butylsulfonylamino)propanoic acid (PubChem CID 4961700) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(butylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-(butylsulfonylamino)propanoic acid
PubChem CID4961700
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name2-(butylsulfonylamino)propanoic acid
SMILESCCCCS(=O)(=O)NC(C)C(=O)O
InChIInChI=1S/C7H15NO4S/c1-3-4-5-13(11,12)8-6(2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyOZSRHFORCGVPJI-UHFFFAOYSA-N
XLogP0.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

L-cysteinesulfinic acid
CID 1549098
L-Cysteic acid
CID 72886
DL-Cysteic acid
CID 25701
Methionine Sulfone
CID 445282
Cysteinesulfinic acid, (A+-)-
CID 109
Homocysteic acid
CID 92117
Butanoic acid, 2-amino-4-sulfino-, (2S)-
CID 75896
Butanoic acid, 2-amino-4-(methylsulfonyl)-
CID 69961
2-Amino-3-methanesulfinylpropanoic acid
CID 82142
L-Homocysteic acid
CID 177491
3-sulfino-L-alanine(1-)
CID 6398956
(2R)-2-Amino-3-(methylsulfinyl)propanoic acid
CID 182092

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfonylamino)propanoic acid?
The IUPAC name of 2-(butylsulfonylamino)propanoic acid (CID 4961700) is 2-(butylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-(butylsulfonylamino)propanoic acid?
The canonical SMILES for 2-(butylsulfonylamino)propanoic acid is CCCCS(=O)(=O)NC(C)C(=O)O.
What is the InChIKey of 2-(butylsulfonylamino)propanoic acid?
The InChIKey is OZSRHFORCGVPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-3-4-5-13(11,12)8-6(2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-(butylsulfonylamino)propanoic acid?
2-(butylsulfonylamino)propanoic acid has a molecular weight of 209.27 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylamino)propanoic acid is sourced from PubChem (CID 4961700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).