2-amino-4-methylsulfanylbutanoic acid;sulfuric acid

C5H13NO6S2 — CID 18780207

IUPAC2-amino-4-methylsulfanylbutanoic acid;sulfuric acid
SMILESCSCCC(N)C(=O)O.O=S(=O)(O)O
InChIInChI=1S/C5H11NO2S.H2O4S/c1-9-3-2-4(6)5(7)8;1-5(2,3)4/h4H,2-3,6H2,1H3,(H,7,8);(H2,1,2,3,4)
InChIKeyZATDRGTYIJCRBA-UHFFFAOYSA-N
MW247.29 g/mol
LogP-0.50
Rot. Bonds4

About 2-amino-4-methylsulfanylbutanoic acid;sulfuric acid

2-amino-4-methylsulfanylbutanoic acid;sulfuric acid (PubChem CID 18780207) has the molecular formula C5H13NO6S2 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-amino-4-methylsulfanylbutanoic acid;sulfuric acid.

Molecular Properties

Compound Name2-amino-4-methylsulfanylbutanoic acid;sulfuric acid
PubChem CID18780207
Molecular FormulaC5H13NO6S2
Molecular Weight247.29 g/mol
Exact Mass247.02
IUPAC Name2-amino-4-methylsulfanylbutanoic acid;sulfuric acid
SMILESCSCCC(N)C(=O)O.O=S(=O)(O)O
InChIInChI=1S/C5H11NO2S.H2O4S/c1-9-3-2-4(6)5(7)8;1-5(2,3)4/h4H,2-3,6H2,1H3,(H,7,8);(H2,1,2,3,4)
InChIKeyZATDRGTYIJCRBA-UHFFFAOYSA-N
XLogP-0.50
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-amino-4-methylsulfanylbutanoic acid;sulfuric 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

2-amino-4-methylsulfanylbutanoic acid;hydron;iron;sulfuric acid
CID 71301295
(2S)-2-amino-4-methylsulfanylbutanoic acid;manganese;sulfuric acid;zinc;hydrate
CID 174931262
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
2-amino-4-methylsulfanylbutanoic acid
CID 876
CID 173007920
CID 173007920
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409
bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc
CID 132989209
(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
CID 161434008

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanylbutanoic acid;sulfuric acid?
The IUPAC name of 2-amino-4-methylsulfanylbutanoic acid;sulfuric acid (CID 18780207) is 2-amino-4-methylsulfanylbutanoic acid;sulfuric acid.
What is the SMILES notation for 2-amino-4-methylsulfanylbutanoic acid;sulfuric acid?
The canonical SMILES for 2-amino-4-methylsulfanylbutanoic acid;sulfuric acid is CSCCC(N)C(=O)O.O=S(=O)(O)O.
What is the InChIKey of 2-amino-4-methylsulfanylbutanoic acid;sulfuric acid?
The InChIKey is ZATDRGTYIJCRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.H2O4S/c1-9-3-2-4(6)5(7)8;1-5(2,3)4/h4H,2-3,6H2,1H3,(H,7,8);(H2,1,2,3,4).
What are the key properties of 2-amino-4-methylsulfanylbutanoic acid;sulfuric acid?
2-amino-4-methylsulfanylbutanoic acid;sulfuric acid has a molecular weight of 247.29 g/mol, XLogP of -0.50, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanylbutanoic acid;sulfuric acid is sourced from PubChem (CID 18780207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).