methyl 3-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpropanoate

C13H23NO2S — CID 63115951

IUPACmethyl 3-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(CSC1CCCC1)NC1CC1
InChIInChI=1S/C13H23NO2S/c1-13(12(15)16-2,14-10-7-8-10)9-17-11-5-3-4-6-11/h10-11,14H,3-9H2,1-2H3
InChIKeyZNILIDUDEJSRCH-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.35
Rot. Bonds6

About methyl 3-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpropanoate

methyl 3-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpropanoate (PubChem CID 63115951) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is methyl 3-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpropanoate
PubChem CID63115951
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Namemethyl 3-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(CSC1CCCC1)NC1CC1
InChIInChI=1S/C13H23NO2S/c1-13(12(15)16-2,14-10-7-8-10)9-17-11-5-3-4-6-11/h10-11,14H,3-9H2,1-2H3
InChIKeyZNILIDUDEJSRCH-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylamino)-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylpropanoate
CID 66103651
ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63920831
6-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylhexanoic acid
CID 63115953
methyl 3-[(4-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpropanoate
CID 114791658
3-cyclopentylsulfanyl-2-(ethylamino)-2-methylpropanamide
CID 63115926
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpropanoate
CID 115561491
methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylbutan-2-yloxy)pentanoate
CID 64706110
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxetan-3-ylsulfanyl)propanoate
CID 79327118
methyl 3-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpropanoate
CID 62861732
methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate
CID 64711964
methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666818
methyl 2-(cyclopropylamino)-2-methyl-3-[(3-methylphenyl)methylsulfanyl]propanoate
CID 62766075

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpropanoate?
The IUPAC name of methyl 3-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpropanoate (CID 63115951) is methyl 3-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 3-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpropanoate?
The canonical SMILES for methyl 3-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpropanoate is COC(=O)C(C)(CSC1CCCC1)NC1CC1.
What is the InChIKey of methyl 3-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpropanoate?
The InChIKey is ZNILIDUDEJSRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-13(12(15)16-2,14-10-7-8-10)9-17-11-5-3-4-6-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of methyl 3-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpropanoate?
methyl 3-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpropanoate has a molecular weight of 257.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpropanoate is sourced from PubChem (CID 63115951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).