2-amino-4-methylsulfanylbutanoic acid;hydron;iron;sulfuric acid

C5H14FeNO6S2+ — CID 71301295

IUPAC2-amino-4-methylsulfanylbutanoic acid;hydron;iron;sulfuric acid
SMILESCSCCC(N)C(=O)O.O=S(=O)(O)O.[Fe].[H+]
InChIInChI=1S/C5H11NO2S.Fe.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)/p+1
InChIKeyTWTJKOQURISBRV-UHFFFAOYSA-O
MW304.15 g/mol
LogP-0.39
Rot. Bonds4

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

2-amino-4-methylsulfanylbutanoic acid;hydron;iron;sulfuric acid (PubChem CID 71301295) has the molecular formula C5H14FeNO6S2+ and a molecular weight of 304.15 g/mol. Its IUPAC name is 2-amino-4-methylsulfanylbutanoic acid;hydron;iron;sulfuric acid.

Molecular Properties

Compound Name2-amino-4-methylsulfanylbutanoic acid;hydron;iron;sulfuric acid
PubChem CID71301295
Molecular FormulaC5H14FeNO6S2+
Molecular Weight304.15 g/mol
Exact Mass303.96
IUPAC Name2-amino-4-methylsulfanylbutanoic acid;hydron;iron;sulfuric acid
SMILESCSCCC(N)C(=O)O.O=S(=O)(O)O.[Fe].[H+]
InChIInChI=1S/C5H11NO2S.Fe.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)/p+1
InChIKeyTWTJKOQURISBRV-UHFFFAOYSA-O
XLogP-0.39
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methylsulfanylbutanoic acid;sulfuric acid
CID 18780207
(2S)-2-amino-4-methylsulfanylbutanoic acid;manganese;sulfuric acid;zinc;hydrate
CID 174931262
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
(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
2-amino-4-methylsulfanylbutanoic acid
CID 876
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438
CID 173007920
CID 173007920
(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;hydron;iron;sulfuric acid?
The IUPAC name of 2-amino-4-methylsulfanylbutanoic acid;hydron;iron;sulfuric acid (CID 71301295) is 2-amino-4-methylsulfanylbutanoic acid;hydron;iron;sulfuric acid.
What is the SMILES notation for 2-amino-4-methylsulfanylbutanoic acid;hydron;iron;sulfuric acid?
The canonical SMILES for 2-amino-4-methylsulfanylbutanoic acid;hydron;iron;sulfuric acid is CSCCC(N)C(=O)O.O=S(=O)(O)O.[Fe].[H+].
What is the InChIKey of 2-amino-4-methylsulfanylbutanoic acid;hydron;iron;sulfuric acid?
The InChIKey is TWTJKOQURISBRV-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11NO2S.Fe.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)/p+1.
What are the key properties of 2-amino-4-methylsulfanylbutanoic acid;hydron;iron;sulfuric acid?
2-amino-4-methylsulfanylbutanoic acid;hydron;iron;sulfuric acid has a molecular weight of 304.15 g/mol, XLogP of -0.39, 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;hydron;iron;sulfuric acid is sourced from PubChem (CID 71301295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).