4-amino-2-(butylsulfonylamino)butanoic acid

C8H18N2O4S — CID 18322901

IUPAC4-amino-2-(butylsulfonylamino)butanoic acid
SMILESCCCCS(=O)(=O)NC(CCN)C(=O)O
InChIInChI=1S/C8H18N2O4S/c1-2-3-6-15(13,14)10-7(4-5-9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)
InChIKeyDVYWINCSDUUOCZ-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.49
Rot. Bonds8

About 4-amino-2-(butylsulfonylamino)butanoic acid

4-amino-2-(butylsulfonylamino)butanoic acid (PubChem CID 18322901) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-amino-2-(butylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(butylsulfonylamino)butanoic acid
PubChem CID18322901
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name4-amino-2-(butylsulfonylamino)butanoic acid
SMILESCCCCS(=O)(=O)NC(CCN)C(=O)O
InChIInChI=1S/C8H18N2O4S/c1-2-3-6-15(13,14)10-7(4-5-9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)
InChIKeyDVYWINCSDUUOCZ-UHFFFAOYSA-N
XLogP-0.49
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Homocysteine sulfonamide
CID 134185
2-Amino-4-sulfamoylbutanoic acid
CID 225085
2-Amino-4-(2,2,2-trifluoroethylsulfonylamino)butanoic acid
CID 87358081
(2S)-2-amino-4-(2,2,2-trifluoroethylsulfonylamino)butanoic acid
CID 89124129
(2S)-2-[2-(ethylsulfonylamino)ethylsulfonylamino]propanoic acid
CID 120086458
2-Amino-4-(hydroxysulfamoyl)butanoic acid
CID 320588
2-Amino-4-(methylsulfamoyl)butanoic acid
CID 312381
(4S)-4-amino-5-oxo-5-(propylsulfamoyl)pentanoic acid
CID 123329075
2-Amino-5-(diethylsulfamoyl)pentanoic acid
CID 135045022
2-(3-Fluoropropylsulfonylamino)pentanoic acid
CID 120345973
2-(4-Fluorobutylsulfonylamino)pentanoic acid
CID 121617569
L-Homocysteine, (3S)-3-amino-3-carboxy-1-propanesulfonate (ester)
CID 165351099

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(butylsulfonylamino)butanoic acid?
The IUPAC name of 4-amino-2-(butylsulfonylamino)butanoic acid (CID 18322901) is 4-amino-2-(butylsulfonylamino)butanoic acid.
What is the SMILES notation for 4-amino-2-(butylsulfonylamino)butanoic acid?
The canonical SMILES for 4-amino-2-(butylsulfonylamino)butanoic acid is CCCCS(=O)(=O)NC(CCN)C(=O)O.
What is the InChIKey of 4-amino-2-(butylsulfonylamino)butanoic acid?
The InChIKey is DVYWINCSDUUOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-2-3-6-15(13,14)10-7(4-5-9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12).
What are the key properties of 4-amino-2-(butylsulfonylamino)butanoic acid?
4-amino-2-(butylsulfonylamino)butanoic acid has a molecular weight of 238.31 g/mol, XLogP of -0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(butylsulfonylamino)butanoic acid is sourced from PubChem (CID 18322901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).