4-(ethylsulfamoylamino)-3-methylbutanoic acid

C7H16N2O4S — CID 114806733

IUPAC4-(ethylsulfamoylamino)-3-methylbutanoic acid
SMILESCCNS(=O)(=O)NCC(C)CC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-3-8-14(12,13)9-5-6(2)4-7(10)11/h6,8-9H,3-5H2,1-2H3,(H,10,11)
InChIKeySRBFMXPNKFZQQF-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.46
Rot. Bonds7

About 4-(ethylsulfamoylamino)-3-methylbutanoic acid

4-(ethylsulfamoylamino)-3-methylbutanoic acid (PubChem CID 114806733) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-(ethylsulfamoylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name4-(ethylsulfamoylamino)-3-methylbutanoic acid
PubChem CID114806733
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name4-(ethylsulfamoylamino)-3-methylbutanoic acid
SMILESCCNS(=O)(=O)NCC(C)CC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-3-8-14(12,13)9-5-6(2)4-7(10)11/h6,8-9H,3-5H2,1-2H3,(H,10,11)
InChIKeySRBFMXPNKFZQQF-UHFFFAOYSA-N
XLogP-0.46
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(ethylsulfamoylamino)-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfamoylamino)-3-methylbutanoic acid?
The IUPAC name of 4-(ethylsulfamoylamino)-3-methylbutanoic acid (CID 114806733) is 4-(ethylsulfamoylamino)-3-methylbutanoic acid.
What is the SMILES notation for 4-(ethylsulfamoylamino)-3-methylbutanoic acid?
The canonical SMILES for 4-(ethylsulfamoylamino)-3-methylbutanoic acid is CCNS(=O)(=O)NCC(C)CC(=O)O.
What is the InChIKey of 4-(ethylsulfamoylamino)-3-methylbutanoic acid?
The InChIKey is SRBFMXPNKFZQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-3-8-14(12,13)9-5-6(2)4-7(10)11/h6,8-9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 4-(ethylsulfamoylamino)-3-methylbutanoic acid?
4-(ethylsulfamoylamino)-3-methylbutanoic acid has a molecular weight of 224.28 g/mol, XLogP of -0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfamoylamino)-3-methylbutanoic acid is sourced from PubChem (CID 114806733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).