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

C6H14N2O3S — CID 10352616

IUPAC2-amino-2-methyl-4-(methylsulfonimidoyl)butanoic acid
SMILES[H]N=S(C)(=O)CCC(C)(N)C(=O)O
InChIInChI=1S/C6H14N2O3S/c1-6(7,5(9)10)3-4-12(2,8)11/h8H,3-4,7H2,1-2H3,(H,9,10)
InChIKeyFYDRLQOPKFIZQU-UHFFFAOYSA-N
MW194.26 g/mol
LogP-0.14
Rot. Bonds4

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

2-amino-2-methyl-4-(methylsulfonimidoyl)butanoic acid (PubChem CID 10352616) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(methylsulfonimidoyl)butanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-4-(methylsulfonimidoyl)butanoic acid
PubChem CID10352616
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name2-amino-2-methyl-4-(methylsulfonimidoyl)butanoic acid
SMILES[H]N=S(C)(=O)CCC(C)(N)C(=O)O
InChIInChI=1S/C6H14N2O3S/c1-6(7,5(9)10)3-4-12(2,8)11/h8H,3-4,7H2,1-2H3,(H,9,10)
InChIKeyFYDRLQOPKFIZQU-UHFFFAOYSA-N
XLogP-0.14
TPSA104.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-methyl-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

Related Compounds

Methionine Sulfoximine
CID 89034
DL-Methionine-DL-sulfoximine
CID 16118
(2S)-2-Amino-4-(methylsulfonimidoyl)butanoic acid
CID 24755488
(R-(R*,S*))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide
CID 24755525
2-Methyl-D-methionine
CID 11480621
2-Methyl-DL-methionine
CID 2111
alpha-Methylmethionine
CID 135729
2-Ethylmethionine sulfoximine
CID 25047483
Lopac-M-5379
CID 25043519
Ethyl l-met
CID 57352420
2-Amino-2-(fluoromethyl)-4-methylsulfanylbutanoic acid
CID 153544880
2-Amino-4-(methylsulfonimidoyl)butanoic acid;hydrochloride
CID 24196466

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(methylsulfonimidoyl)butanoic acid?
The IUPAC name of 2-amino-2-methyl-4-(methylsulfonimidoyl)butanoic acid (CID 10352616) is 2-amino-2-methyl-4-(methylsulfonimidoyl)butanoic acid.
What is the SMILES notation for 2-amino-2-methyl-4-(methylsulfonimidoyl)butanoic acid?
The canonical SMILES for 2-amino-2-methyl-4-(methylsulfonimidoyl)butanoic acid is [H]N=S(C)(=O)CCC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-4-(methylsulfonimidoyl)butanoic acid?
The InChIKey is FYDRLQOPKFIZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-6(7,5(9)10)3-4-12(2,8)11/h8H,3-4,7H2,1-2H3,(H,9,10).
What are the key properties of 2-amino-2-methyl-4-(methylsulfonimidoyl)butanoic acid?
2-amino-2-methyl-4-(methylsulfonimidoyl)butanoic acid has a molecular weight of 194.26 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(methylsulfonimidoyl)butanoic acid is sourced from PubChem (CID 10352616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).