methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate

C14H27NO2S — CID 64711964

IUPACmethyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate
SMILESCOC(=O)C(C)(CC(C)SCC(C)C)NC1CC1
InChIInChI=1S/C14H27NO2S/c1-10(2)9-18-11(3)8-14(4,13(16)17-5)15-12-6-7-12/h10-12,15H,6-9H2,1-5H3
InChIKeyGVYLOJLOOYMXRW-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.84
Rot. Bonds8

About methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate

methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate (PubChem CID 64711964) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate
PubChem CID64711964
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Namemethyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate
SMILESCOC(=O)C(C)(CC(C)SCC(C)C)NC1CC1
InChIInChI=1S/C14H27NO2S/c1-10(2)9-18-11(3)8-14(4,13(16)17-5)15-12-6-7-12/h10-12,15H,6-9H2,1-5H3
InChIKeyGVYLOJLOOYMXRW-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylamino)-4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylpentanoate
CID 66103871
methyl 2-methyl-4-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)pentanoate
CID 64710020
methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylbutan-2-yloxy)pentanoate
CID 64706110
ethyl 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanoate
CID 64704947
methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylpyrazol-4-yl)sulfanylpentanoate
CID 64705687
methyl 2-(cyclopropylamino)-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pentanoate
CID 64709876
methyl 2-(cyclopropylamino)-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylpropanoate
CID 66103651
methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate
CID 64727139
methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate
CID 64710648
methyl 2-(cyclopropylamino)-4-[cyclopropylmethyl(methyl)amino]-2-methylpentanoate
CID 64709824
methyl 2-(cyclopropylamino)-2-methyl-4-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pentanoate
CID 64705715
2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid
CID 64710146

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate (CID 64711964) is methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate is COC(=O)C(C)(CC(C)SCC(C)C)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate?
The InChIKey is GVYLOJLOOYMXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-10(2)9-18-11(3)8-14(4,13(16)17-5)15-12-6-7-12/h10-12,15H,6-9H2,1-5H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate?
methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate has a molecular weight of 273.44 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate is sourced from PubChem (CID 64711964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).