cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride

C11H22ClNO2S — CID 67692396

IUPACcyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
SMILESCSCC[C@H](N)C(=O)OC1CCCCC1.Cl
InChIInChI=1S/C11H21NO2S.ClH/c1-15-8-7-10(12)11(13)14-9-5-3-2-4-6-9;/h9-10H,2-8,12H2,1H3;1H/t10-;/m0./s1
InChIKeyBYQGPJHXURXZBP-PPHPATTJSA-N
MW267.82 g/mol
LogP2.36
Rot. Bonds5

About cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride

cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride (PubChem CID 67692396) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride.

Molecular Properties

Compound Namecyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
PubChem CID67692396
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC Namecyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
SMILESCSCC[C@H](N)C(=O)OC1CCCCC1.Cl
InChIInChI=1S/C11H21NO2S.ClH/c1-15-8-7-10(12)11(13)14-9-5-3-2-4-6-9;/h9-10H,2-8,12H2,1H3;1H/t10-;/m0./s1
InChIKeyBYQGPJHXURXZBP-PPHPATTJSA-N
XLogP2.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909691
cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 54480153
cyclopentyl 2-aminopentanoate
CID 61278203
cyclopentyl 2-aminobutanoate;hydrochloride
CID 175315314
cyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 66322213
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
cyclopentyl (2S)-2-amino-3-methoxypropanoate
CID 122538889
(2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide
CID 104908500
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
cyclohexyl 2,4-diamino-4-oxobutanoate
CID 22005850
cyclododecyl (2S)-2-amino-6-(dimethylamino)hexanoate
CID 146383810
cyclopropylmethyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909688

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride?
The IUPAC name of cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride (CID 67692396) is cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride.
What is the SMILES notation for cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride?
The canonical SMILES for cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride is CSCC[C@H](N)C(=O)OC1CCCCC1.Cl.
What is the InChIKey of cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride?
The InChIKey is BYQGPJHXURXZBP-PPHPATTJSA-N. The full InChI is InChI=1S/C11H21NO2S.ClH/c1-15-8-7-10(12)11(13)14-9-5-3-2-4-6-9;/h9-10H,2-8,12H2,1H3;1H/t10-;/m0./s1.
What are the key properties of cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride?
cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride has a molecular weight of 267.82 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride is sourced from PubChem (CID 67692396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).