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

C9H17NO2S — CID 104909688

IUPACcyclopropylmethyl (2R)-2-amino-4-methylsulfanylbutanoate
SMILESCSCC[C@@H](N)C(=O)OCC1CC1
InChIInChI=1S/C9H17NO2S/c1-13-5-4-8(10)9(11)12-6-7-2-3-7/h7-8H,2-6,10H2,1H3/t8-/m1/s1
InChIKeyHJRFFXOCRXKYIH-MRVPVSSYSA-N
MW203.31 g/mol
LogP1.02
Rot. Bonds6

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

cyclopropylmethyl (2R)-2-amino-4-methylsulfanylbutanoate (PubChem CID 104909688) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is cyclopropylmethyl (2R)-2-amino-4-methylsulfanylbutanoate.

Molecular Properties

Compound Namecyclopropylmethyl (2R)-2-amino-4-methylsulfanylbutanoate
PubChem CID104909688
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Namecyclopropylmethyl (2R)-2-amino-4-methylsulfanylbutanoate
SMILESCSCC[C@@H](N)C(=O)OCC1CC1
InChIInChI=1S/C9H17NO2S/c1-13-5-4-8(10)9(11)12-6-7-2-3-7/h7-8H,2-6,10H2,1H3/t8-/m1/s1
InChIKeyHJRFFXOCRXKYIH-MRVPVSSYSA-N
XLogP1.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 66322213
cyclopropylmethyl (2S)-2-aminopentanoate
CID 107565685
cyclopropylmethyl 2-amino-4-hydroxybutanoate
CID 61243530
(2-amino-4-methylsulfanylbutanoyl)oxymethyl 2-amino-4-methylsulfanylbutanoate
CID 158198459
cyclopentylmethyl (2S)-2-aminopentanoate
CID 107565785
cyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate
CID 12993308
(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-methylsulfanylbutanamide;hydrochloride
CID 119340566
cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 54480153
cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909691
2-[2-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyethoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 87587712
cyclohexylmethyl (2R)-2-aminopentanoate
CID 107565760
cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 67692396

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl (2R)-2-amino-4-methylsulfanylbutanoate?
The IUPAC name of cyclopropylmethyl (2R)-2-amino-4-methylsulfanylbutanoate (CID 104909688) is cyclopropylmethyl (2R)-2-amino-4-methylsulfanylbutanoate.
What is the SMILES notation for cyclopropylmethyl (2R)-2-amino-4-methylsulfanylbutanoate?
The canonical SMILES for cyclopropylmethyl (2R)-2-amino-4-methylsulfanylbutanoate is CSCC[C@@H](N)C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl (2R)-2-amino-4-methylsulfanylbutanoate?
The InChIKey is HJRFFXOCRXKYIH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-13-5-4-8(10)9(11)12-6-7-2-3-7/h7-8H,2-6,10H2,1H3/t8-/m1/s1.
What are the key properties of cyclopropylmethyl (2R)-2-amino-4-methylsulfanylbutanoate?
cyclopropylmethyl (2R)-2-amino-4-methylsulfanylbutanoate has a molecular weight of 203.31 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl (2R)-2-amino-4-methylsulfanylbutanoate is sourced from PubChem (CID 104909688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).