(2S)-2-amino-4-methylsulfanylbutanoic acid;copper

C5H11CuNO2S — CID 87289409

IUPAC(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
SMILESCSCC[C@H](N)C(=O)O.[Cu]
InChIInChI=1S/C5H11NO2S.Cu/c1-9-3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);/t4-;/m0./s1
InChIKeyJZCAHRHZFBBFRZ-WCCKRBBISA-N
MW212.76 g/mol
LogP0.15
Rot. Bonds4

About (2S)-2-amino-4-methylsulfanylbutanoic acid;copper

(2S)-2-amino-4-methylsulfanylbutanoic acid;copper (PubChem CID 87289409) has the molecular formula C5H11CuNO2S and a molecular weight of 212.76 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanylbutanoic acid;copper.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
PubChem CID87289409
Molecular FormulaC5H11CuNO2S
Molecular Weight212.76 g/mol
Exact Mass211.98
IUPAC Name(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
SMILESCSCC[C@H](N)C(=O)O.[Cu]
InChIInChI=1S/C5H11NO2S.Cu/c1-9-3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);/t4-;/m0./s1
InChIKeyJZCAHRHZFBBFRZ-WCCKRBBISA-N
XLogP0.15
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.76
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
CID 173007920
CID 173007920
bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc
CID 132989209
(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 (2S)-2-amino-4-methylsulfanylbutanoic acid;copper?
The IUPAC name of (2S)-2-amino-4-methylsulfanylbutanoic acid;copper (CID 87289409) is (2S)-2-amino-4-methylsulfanylbutanoic acid;copper.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanylbutanoic acid;copper?
The canonical SMILES for (2S)-2-amino-4-methylsulfanylbutanoic acid;copper is CSCC[C@H](N)C(=O)O.[Cu].
What is the InChIKey of (2S)-2-amino-4-methylsulfanylbutanoic acid;copper?
The InChIKey is JZCAHRHZFBBFRZ-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2S.Cu/c1-9-3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylsulfanylbutanoic acid;copper?
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper has a molecular weight of 212.76 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanylbutanoic acid;copper is sourced from PubChem (CID 87289409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).