cyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate

C11H21NO2S — CID 66322213

IUPACcyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate
SMILESCSCC[C@H](N)C(=O)OCC1CCCC1
InChIInChI=1S/C11H21NO2S/c1-15-7-6-10(12)11(13)14-8-9-4-2-3-5-9/h9-10H,2-8,12H2,1H3/t10-/m0/s1
InChIKeyVOVAPUGKWLSRTB-JTQLQIEISA-N
MW231.36 g/mol
LogP1.80
Rot. Bonds6

About cyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate

cyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate (PubChem CID 66322213) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is cyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate.

Molecular Properties

Compound Namecyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate
PubChem CID66322213
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Namecyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate
SMILESCSCC[C@H](N)C(=O)OCC1CCCC1
InChIInChI=1S/C11H21NO2S/c1-15-7-6-10(12)11(13)14-8-9-4-2-3-5-9/h9-10H,2-8,12H2,1H3/t10-/m0/s1
InChIKeyVOVAPUGKWLSRTB-JTQLQIEISA-N
XLogP1.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropylmethyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909688
cyclopentylmethyl (2S)-2-aminopentanoate
CID 107565785
cyclohexylmethyl (2R)-2-aminopentanoate
CID 107565760
cyclopentylmethyl 2-aminobutanoate
CID 66322645
cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 54480153
cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909691
cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 67692396
(2-amino-4-methylsulfanylbutanoyl)oxymethyl 2-amino-4-methylsulfanylbutanoate
CID 158198459
cyclopropylmethyl (2S)-2-aminopentanoate
CID 107565685
(2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119289805
(2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide
CID 61178313
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate?
The IUPAC name of cyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate (CID 66322213) is cyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate.
What is the SMILES notation for cyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate?
The canonical SMILES for cyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate is CSCC[C@H](N)C(=O)OCC1CCCC1.
What is the InChIKey of cyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate?
The InChIKey is VOVAPUGKWLSRTB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO2S/c1-15-7-6-10(12)11(13)14-8-9-4-2-3-5-9/h9-10H,2-8,12H2,1H3/t10-/m0/s1.
What are the key properties of cyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate?
cyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate has a molecular weight of 231.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate is sourced from PubChem (CID 66322213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).