bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc

C10H22N2O4S2Zn — CID 132989209

IUPACbis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc
SMILESCSCC[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)O.[Zn]
InChIInChI=1S/2C5H11NO2S.Zn/c2*1-9-3-2-4(6)5(7)8;/h2*4H,2-3,6H2,1H3,(H,7,8);/t2*4-;/m00./s1
InChIKeyXJIVIOIILMBTSP-SCGRZTRASA-N
MW363.82 g/mol
LogP0.30
Rot. Bonds8

About bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc

bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc (PubChem CID 132989209) has the molecular formula C10H22N2O4S2Zn and a molecular weight of 363.82 g/mol. Its IUPAC name is bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc.

Molecular Properties

Compound Namebis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc
PubChem CID132989209
Molecular FormulaC10H22N2O4S2Zn
Molecular Weight363.82 g/mol
Exact Mass362.03
IUPAC Namebis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc
SMILESCSCC[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)O.[Zn]
InChIInChI=1S/2C5H11NO2S.Zn/c2*1-9-3-2-4(6)5(7)8;/h2*4H,2-3,6H2,1H3,(H,7,8);/t2*4-;/m00./s1
InChIKeyXJIVIOIILMBTSP-SCGRZTRASA-N
XLogP0.30
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409
CID 173007920
CID 173007920
(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
CID 161434008
2-amino-4-methylsulfanylbutanoic acid;sulfane;hydrate
CID 174389151
(2S)-2-amino-4-methylsulfanylbutanoic acid;ethene
CID 88715356
CID 173070734
CID 173070734

Frequently Asked Questions

What is the IUPAC name of bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc?
The IUPAC name of bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc (CID 132989209) is bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc.
What is the SMILES notation for bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc?
The canonical SMILES for bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc is CSCC[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)O.[Zn].
What is the InChIKey of bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc?
The InChIKey is XJIVIOIILMBTSP-SCGRZTRASA-N. The full InChI is InChI=1S/2C5H11NO2S.Zn/c2*1-9-3-2-4(6)5(7)8;/h2*4H,2-3,6H2,1H3,(H,7,8);/t2*4-;/m00./s1.
What are the key properties of bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc?
bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc has a molecular weight of 363.82 g/mol, XLogP of 0.30, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc is sourced from PubChem (CID 132989209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).