methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride

C6H13Cl2NO2PtS — CID 138397899

IUPACmethyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride
SMILESCOC(=O)[C@@H](N)CCSC.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/C6H13NO2S.2ClH.Pt/c1-9-6(8)5(7)3-4-10-2;;;/h5H,3-4,7H2,1-2H3;2*1H;/q;;;+2/p-2/t5-;;;/m0.../s1
InChIKeyRAIUUDGYMMXSCG-BHRFRFAJSA-L
MW429.23 g/mol
LogP-5.75
Rot. Bonds4

About methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride

methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride (PubChem CID 138397899) has the molecular formula C6H13Cl2NO2PtS and a molecular weight of 429.23 g/mol. Its IUPAC name is methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride
PubChem CID138397899
Molecular FormulaC6H13Cl2NO2PtS
Molecular Weight429.23 g/mol
Exact Mass427.97
IUPAC Namemethyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride
SMILESCOC(=O)[C@@H](N)CCSC.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/C6H13NO2S.2ClH.Pt/c1-9-6(8)5(7)3-4-10-2;;;/h5H,3-4,7H2,1-2H3;2*1H;/q;;;+2/p-2/t5-;;;/m0.../s1
InChIKeyRAIUUDGYMMXSCG-BHRFRFAJSA-L
XLogP-5.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.23
LogP ≤ 5-5.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride 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

methyl 2-amino-4-methylsulfanylbutanoate chloride
CID 170923229
(2-amino-4-methylsulfanylbutanoyl)oxymethyl 2-amino-4-methylsulfanylbutanoate
CID 158198459
methyl (2S)-2-amino-4-methylsulfanylbutanoate;methyl (2S)-2-[[2-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]amino]-4-methylsulfanylbutanoate;oxalyl dichloride
CID 161225910
amino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 141292126
iodo (2S)-2-amino-4-methylsulfanylbutanoate
CID 18444120
2,3-diaminopropanoyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 88794349
2-[2-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyethoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 87587712
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 87305409
methyl 3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-hydroxypropanoate
CID 107222588
2-amino-4-methylsulfanylbutanoic acid
CID 876
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride?
The IUPAC name of methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride (CID 138397899) is methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride.
What is the SMILES notation for methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride?
The canonical SMILES for methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride is COC(=O)[C@@H](N)CCSC.[Cl-].[Cl-].[Pt+2].
What is the InChIKey of methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride?
The InChIKey is RAIUUDGYMMXSCG-BHRFRFAJSA-L. The full InChI is InChI=1S/C6H13NO2S.2ClH.Pt/c1-9-6(8)5(7)3-4-10-2;;;/h5H,3-4,7H2,1-2H3;2*1H;/q;;;+2/p-2/t5-;;;/m0.../s1.
What are the key properties of methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride?
methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride has a molecular weight of 429.23 g/mol, XLogP of -5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride is sourced from PubChem (CID 138397899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).