2-amino-4-(propan-2-ylsulfamoylamino)butanoic acid

C7H17N3O4S — CID 89124240

IUPAC2-amino-4-(propan-2-ylsulfamoylamino)butanoic acid
SMILESCC(C)NS(=O)(=O)NCCC(N)C(=O)O
InChIInChI=1S/C7H17N3O4S/c1-5(2)10-15(13,14)9-4-3-6(8)7(11)12/h5-6,9-10H,3-4,8H2,1-2H3,(H,11,12)
InChIKeyLRIRMPCJULLECO-UHFFFAOYSA-N
MW239.30 g/mol
LogP-1.38
Rot. Bonds7

About 2-amino-4-(propan-2-ylsulfamoylamino)butanoic acid

2-amino-4-(propan-2-ylsulfamoylamino)butanoic acid (PubChem CID 89124240) has the molecular formula C7H17N3O4S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-amino-4-(propan-2-ylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(propan-2-ylsulfamoylamino)butanoic acid
PubChem CID89124240
Molecular FormulaC7H17N3O4S
Molecular Weight239.30 g/mol
Exact Mass239.09
IUPAC Name2-amino-4-(propan-2-ylsulfamoylamino)butanoic acid
SMILESCC(C)NS(=O)(=O)NCCC(N)C(=O)O
InChIInChI=1S/C7H17N3O4S/c1-5(2)10-15(13,14)9-4-3-6(8)7(11)12/h5-6,9-10H,3-4,8H2,1-2H3,(H,11,12)
InChIKeyLRIRMPCJULLECO-UHFFFAOYSA-N
XLogP-1.38
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(propan-2-ylsulfamoylamino)butanoic acid?
The IUPAC name of 2-amino-4-(propan-2-ylsulfamoylamino)butanoic acid (CID 89124240) is 2-amino-4-(propan-2-ylsulfamoylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(propan-2-ylsulfamoylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(propan-2-ylsulfamoylamino)butanoic acid is CC(C)NS(=O)(=O)NCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(propan-2-ylsulfamoylamino)butanoic acid?
The InChIKey is LRIRMPCJULLECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O4S/c1-5(2)10-15(13,14)9-4-3-6(8)7(11)12/h5-6,9-10H,3-4,8H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-4-(propan-2-ylsulfamoylamino)butanoic acid?
2-amino-4-(propan-2-ylsulfamoylamino)butanoic acid has a molecular weight of 239.30 g/mol, XLogP of -1.38, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(propan-2-ylsulfamoylamino)butanoic acid is sourced from PubChem (CID 89124240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).