tris(2-amino-4-methylsulfanylbutanoate);chromium(3+)

C15H30CrN3O6S3 — CID 71661183

IUPACtris(2-amino-4-methylsulfanylbutanoate);chromium(3+)
SMILESCSCCC(N)C(=O)[O-].CSCCC(N)C(=O)[O-].CSCCC(N)C(=O)[O-].[Cr+3]
InChIInChI=1S/3C5H11NO2S.Cr/c3*1-9-3-2-4(6)5(7)8;/h3*4H,2-3,6H2,1H3,(H,7,8);/q;;;+3/p-3
InChIKeyCGZUHNJFTSUWIK-UHFFFAOYSA-K
MW496.62 g/mol
LogP-3.55
Rot. Bonds12

About tris(2-amino-4-methylsulfanylbutanoate);chromium(3+)

tris(2-amino-4-methylsulfanylbutanoate);chromium(3+) (PubChem CID 71661183) has the molecular formula C15H30CrN3O6S3 and a molecular weight of 496.62 g/mol. Its IUPAC name is tris(2-amino-4-methylsulfanylbutanoate);chromium(3+).

Molecular Properties

Compound Nametris(2-amino-4-methylsulfanylbutanoate);chromium(3+)
PubChem CID71661183
Molecular FormulaC15H30CrN3O6S3
Molecular Weight496.62 g/mol
Exact Mass496.07
IUPAC Nametris(2-amino-4-methylsulfanylbutanoate);chromium(3+)
SMILESCSCCC(N)C(=O)[O-].CSCCC(N)C(=O)[O-].CSCCC(N)C(=O)[O-].[Cr+3]
InChIInChI=1S/3C5H11NO2S.Cr/c3*1-9-3-2-4(6)5(7)8;/h3*4H,2-3,6H2,1H3,(H,7,8);/q;;;+3/p-3
InChIKeyCGZUHNJFTSUWIK-UHFFFAOYSA-K
XLogP-3.55
TPSA198.45 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.62
LogP ≤ 5-3.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Related Compounds

disodium bis((2S)-2-amino-4-methylsulfanylbutanoate)
CID 142741182
CID 172908207
CID 172908207
2-amino-4-methylsulfanylbutanoate;hydron
CID 135373086
(2S)-2-amino-4-methylsulfanylbutanoate;cobalt(2+);propane-1,2-diol;chloride;hydrochloride
CID 138397165
dizinc;2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]disulfanyl]propanoate;(2S)-2-amino-4-methylsulfanylbutanoate;(2R)-2-amino-3-sulfanylpropanoate
CID 173395298
2-amino-4-methylsulfanylbutanoate;tetrahexylazanium
CID 23277407
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
2-amino-4-methylsulfanylbutanoic acid
CID 876
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438

Frequently Asked Questions

What is the IUPAC name of tris(2-amino-4-methylsulfanylbutanoate);chromium(3+)?
The IUPAC name of tris(2-amino-4-methylsulfanylbutanoate);chromium(3+) (CID 71661183) is tris(2-amino-4-methylsulfanylbutanoate);chromium(3+).
What is the SMILES notation for tris(2-amino-4-methylsulfanylbutanoate);chromium(3+)?
The canonical SMILES for tris(2-amino-4-methylsulfanylbutanoate);chromium(3+) is CSCCC(N)C(=O)[O-].CSCCC(N)C(=O)[O-].CSCCC(N)C(=O)[O-].[Cr+3].
What is the InChIKey of tris(2-amino-4-methylsulfanylbutanoate);chromium(3+)?
The InChIKey is CGZUHNJFTSUWIK-UHFFFAOYSA-K. The full InChI is InChI=1S/3C5H11NO2S.Cr/c3*1-9-3-2-4(6)5(7)8;/h3*4H,2-3,6H2,1H3,(H,7,8);/q;;;+3/p-3.
What are the key properties of tris(2-amino-4-methylsulfanylbutanoate);chromium(3+)?
tris(2-amino-4-methylsulfanylbutanoate);chromium(3+) has a molecular weight of 496.62 g/mol, XLogP of -3.55, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-amino-4-methylsulfanylbutanoate);chromium(3+) is sourced from PubChem (CID 71661183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).