cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate

C11H21NO2S — CID 104909691

IUPACcyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate
SMILESCSCC[C@@H](N)C(=O)OC1CCCCC1
InChIInChI=1S/C11H21NO2S/c1-15-8-7-10(12)11(13)14-9-5-3-2-4-6-9/h9-10H,2-8,12H2,1H3/t10-/m1/s1
InChIKeyXOKWCUQYVDEPCF-SNVBAGLBSA-N
MW231.36 g/mol
LogP1.94
Rot. Bonds5

About cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate

cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate (PubChem CID 104909691) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate.

Molecular Properties

Compound Namecyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate
PubChem CID104909691
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Namecyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate
SMILESCSCC[C@@H](N)C(=O)OC1CCCCC1
InChIInChI=1S/C11H21NO2S/c1-15-8-7-10(12)11(13)14-9-5-3-2-4-6-9/h9-10H,2-8,12H2,1H3/t10-/m1/s1
InChIKeyXOKWCUQYVDEPCF-SNVBAGLBSA-N
XLogP1.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 54480153
cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 67692396
cyclopentyl 2-aminopentanoate
CID 61278203
cyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 66322213
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
(2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide
CID 104908500
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
cyclopentyl 2-aminobutanoate;hydrochloride
CID 175315314
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
cyclopentyl 2-amino-3-hydroxypropanoate
CID 61279213

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate?
The IUPAC name of cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate (CID 104909691) is cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate.
What is the SMILES notation for cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate?
The canonical SMILES for cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate is CSCC[C@@H](N)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate?
The InChIKey is XOKWCUQYVDEPCF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-15-8-7-10(12)11(13)14-9-5-3-2-4-6-9/h9-10H,2-8,12H2,1H3/t10-/m1/s1.
What are the key properties of cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate?
cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate has a molecular weight of 231.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate is sourced from PubChem (CID 104909691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).