methyl 2-amino-4-methylsulfanylbutanoate chloride

C6H13ClNO2S- — CID 170923229

IUPACmethyl 2-amino-4-methylsulfanylbutanoate chloride
SMILESCOC(=O)C(N)CCSC.[Cl-]
InChIInChI=1S/C6H13NO2S.ClH/c1-9-6(8)5(7)3-4-10-2;/h5H,3-4,7H2,1-2H3;1H/p-1
InChIKeyMEVUPUNLVKELNV-UHFFFAOYSA-M
MW198.69 g/mol
LogP-2.76
Rot. Bonds4

About methyl 2-amino-4-methylsulfanylbutanoate chloride

methyl 2-amino-4-methylsulfanylbutanoate chloride (PubChem CID 170923229) has the molecular formula C6H13ClNO2S- and a molecular weight of 198.69 g/mol. Its IUPAC name is methyl 2-amino-4-methylsulfanylbutanoate chloride.

Molecular Properties

Compound Namemethyl 2-amino-4-methylsulfanylbutanoate chloride
PubChem CID170923229
Molecular FormulaC6H13ClNO2S-
Molecular Weight198.69 g/mol
Exact Mass198.04
IUPAC Namemethyl 2-amino-4-methylsulfanylbutanoate chloride
SMILESCOC(=O)C(N)CCSC.[Cl-]
InChIInChI=1S/C6H13NO2S.ClH/c1-9-6(8)5(7)3-4-10-2;/h5H,3-4,7H2,1-2H3;1H/p-1
InChIKeyMEVUPUNLVKELNV-UHFFFAOYSA-M
XLogP-2.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 5-2.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride
CID 138397899
(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
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-methylsulfanylbutanoate chloride?
The IUPAC name of methyl 2-amino-4-methylsulfanylbutanoate chloride (CID 170923229) is methyl 2-amino-4-methylsulfanylbutanoate chloride.
What is the SMILES notation for methyl 2-amino-4-methylsulfanylbutanoate chloride?
The canonical SMILES for methyl 2-amino-4-methylsulfanylbutanoate chloride is COC(=O)C(N)CCSC.[Cl-].
What is the InChIKey of methyl 2-amino-4-methylsulfanylbutanoate chloride?
The InChIKey is MEVUPUNLVKELNV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO2S.ClH/c1-9-6(8)5(7)3-4-10-2;/h5H,3-4,7H2,1-2H3;1H/p-1.
What are the key properties of methyl 2-amino-4-methylsulfanylbutanoate chloride?
methyl 2-amino-4-methylsulfanylbutanoate chloride has a molecular weight of 198.69 g/mol, XLogP of -2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-methylsulfanylbutanoate chloride is sourced from PubChem (CID 170923229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).