2-amino-2-ethyl-4-(methylsulfonimidoyl)butanoic acid

C7H16N2O3S — CID 25047483

IUPAC2-amino-2-ethyl-4-(methylsulfonimidoyl)butanoic acid
SMILES[H]N=[S@@](C)(=O)CCC(N)(CC)C(=O)O
InChIInChI=1S/C7H16N2O3S/c1-3-7(8,6(10)11)4-5-13(2,9)12/h9H,3-5,8H2,1-2H3,(H,10,11)/t7?,13-/m0/s1
InChIKeyYAFHJNXECLHMKP-GRSHUZJTSA-N
MW208.28 g/mol
LogP0.25
Rot. Bonds5

About 2-amino-2-ethyl-4-(methylsulfonimidoyl)butanoic acid

2-amino-2-ethyl-4-(methylsulfonimidoyl)butanoic acid (PubChem CID 25047483) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-amino-2-ethyl-4-(methylsulfonimidoyl)butanoic acid.

Molecular Properties

Compound Name2-amino-2-ethyl-4-(methylsulfonimidoyl)butanoic acid
PubChem CID25047483
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-amino-2-ethyl-4-(methylsulfonimidoyl)butanoic acid
SMILES[H]N=[S@@](C)(=O)CCC(N)(CC)C(=O)O
InChIInChI=1S/C7H16N2O3S/c1-3-7(8,6(10)11)4-5-13(2,9)12/h9H,3-5,8H2,1-2H3,(H,10,11)/t7?,13-/m0/s1
InChIKeyYAFHJNXECLHMKP-GRSHUZJTSA-N
XLogP0.25
TPSA104.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-ethyl-4-(methylsulfonimidoyl)butanoic 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 2-amino-2-ethyl-4-(methylsulfonimidoyl)butanoic acid?
The IUPAC name of 2-amino-2-ethyl-4-(methylsulfonimidoyl)butanoic acid (CID 25047483) is 2-amino-2-ethyl-4-(methylsulfonimidoyl)butanoic acid.
What is the SMILES notation for 2-amino-2-ethyl-4-(methylsulfonimidoyl)butanoic acid?
The canonical SMILES for 2-amino-2-ethyl-4-(methylsulfonimidoyl)butanoic acid is [H]N=[S@@](C)(=O)CCC(N)(CC)C(=O)O.
What is the InChIKey of 2-amino-2-ethyl-4-(methylsulfonimidoyl)butanoic acid?
The InChIKey is YAFHJNXECLHMKP-GRSHUZJTSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-3-7(8,6(10)11)4-5-13(2,9)12/h9H,3-5,8H2,1-2H3,(H,10,11)/t7?,13-/m0/s1.
What are the key properties of 2-amino-2-ethyl-4-(methylsulfonimidoyl)butanoic acid?
2-amino-2-ethyl-4-(methylsulfonimidoyl)butanoic acid has a molecular weight of 208.28 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-4-(methylsulfonimidoyl)butanoic acid is sourced from PubChem (CID 25047483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).