4-(2-methylpropylsulfamoylamino)butanoic acid

C8H18N2O4S — CID 114814292

IUPAC4-(2-methylpropylsulfamoylamino)butanoic acid
SMILESCC(C)CNS(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-7(2)6-10-15(13,14)9-5-3-4-8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyYFLRAXXAUXXCQF-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.07
Rot. Bonds8

About 4-(2-methylpropylsulfamoylamino)butanoic acid

4-(2-methylpropylsulfamoylamino)butanoic acid (PubChem CID 114814292) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-(2-methylpropylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-methylpropylsulfamoylamino)butanoic acid
PubChem CID114814292
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name4-(2-methylpropylsulfamoylamino)butanoic acid
SMILESCC(C)CNS(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-7(2)6-10-15(13,14)9-5-3-4-8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyYFLRAXXAUXXCQF-UHFFFAOYSA-N
XLogP-0.07
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylsulfamoylamino)butanoic acid?
The IUPAC name of 4-(2-methylpropylsulfamoylamino)butanoic acid (CID 114814292) is 4-(2-methylpropylsulfamoylamino)butanoic acid.
What is the SMILES notation for 4-(2-methylpropylsulfamoylamino)butanoic acid?
The canonical SMILES for 4-(2-methylpropylsulfamoylamino)butanoic acid is CC(C)CNS(=O)(=O)NCCCC(=O)O.
What is the InChIKey of 4-(2-methylpropylsulfamoylamino)butanoic acid?
The InChIKey is YFLRAXXAUXXCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-7(2)6-10-15(13,14)9-5-3-4-8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4-(2-methylpropylsulfamoylamino)butanoic acid?
4-(2-methylpropylsulfamoylamino)butanoic acid has a molecular weight of 238.31 g/mol, XLogP of -0.07, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylsulfamoylamino)butanoic acid is sourced from PubChem (CID 114814292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).