2-amino-4-(2-methylpropylsulfamoylamino)butanoic acid

C8H19N3O4S — CID 89124353

IUPAC2-amino-4-(2-methylpropylsulfamoylamino)butanoic acid
SMILESCC(C)CNS(=O)(=O)NCCC(N)C(=O)O
InChIInChI=1S/C8H19N3O4S/c1-6(2)5-11-16(14,15)10-4-3-7(9)8(12)13/h6-7,10-11H,3-5,9H2,1-2H3,(H,12,13)
InChIKeyACPGFRLRVQYEIW-UHFFFAOYSA-N
MW253.32 g/mol
LogP-1.13
Rot. Bonds8

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

2-amino-4-(2-methylpropylsulfamoylamino)butanoic acid (PubChem CID 89124353) has the molecular formula C8H19N3O4S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-amino-4-(2-methylpropylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(2-methylpropylsulfamoylamino)butanoic acid
PubChem CID89124353
Molecular FormulaC8H19N3O4S
Molecular Weight253.32 g/mol
Exact Mass253.11
IUPAC Name2-amino-4-(2-methylpropylsulfamoylamino)butanoic acid
SMILESCC(C)CNS(=O)(=O)NCCC(N)C(=O)O
InChIInChI=1S/C8H19N3O4S/c1-6(2)5-11-16(14,15)10-4-3-7(9)8(12)13/h6-7,10-11H,3-5,9H2,1-2H3,(H,12,13)
InChIKeyACPGFRLRVQYEIW-UHFFFAOYSA-N
XLogP-1.13
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methylpropylsulfamoylamino)butanoic acid?
The IUPAC name of 2-amino-4-(2-methylpropylsulfamoylamino)butanoic acid (CID 89124353) is 2-amino-4-(2-methylpropylsulfamoylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(2-methylpropylsulfamoylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(2-methylpropylsulfamoylamino)butanoic acid is CC(C)CNS(=O)(=O)NCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(2-methylpropylsulfamoylamino)butanoic acid?
The InChIKey is ACPGFRLRVQYEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O4S/c1-6(2)5-11-16(14,15)10-4-3-7(9)8(12)13/h6-7,10-11H,3-5,9H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-4-(2-methylpropylsulfamoylamino)butanoic acid?
2-amino-4-(2-methylpropylsulfamoylamino)butanoic acid has a molecular weight of 253.32 g/mol, XLogP of -1.13, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methylpropylsulfamoylamino)butanoic acid is sourced from PubChem (CID 89124353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).