ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate

C10H19NO2S — CID 60812555

IUPACethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate
SMILESCCOC(=O)C(CCSC)NC1CC1
InChIInChI=1S/C10H19NO2S/c1-3-13-10(12)9(6-7-14-2)11-8-4-5-8/h8-9,11H,3-7H2,1-2H3
InChIKeyOABGHFSCVGSUGS-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.42
Rot. Bonds7

About ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate

ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate (PubChem CID 60812555) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate
PubChem CID60812555
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Nameethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate
SMILESCCOC(=O)C(CCSC)NC1CC1
InChIInChI=1S/C10H19NO2S/c1-3-13-10(12)9(6-7-14-2)11-8-4-5-8/h8-9,11H,3-7H2,1-2H3
InChIKeyOABGHFSCVGSUGS-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(cyclopropylamino)-4-ethylsulfanylbutanoate
CID 63035698
2-(cyclopropylamino)-4-methylsulfanylbutanoic acid
CID 60812175
ethyl 2-(cyclopropylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanoate
CID 63034367
ethyl 2-(cyclopropylamino)-3-pentylsulfanylpropanoate
CID 107755529
ethyl 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanoate
CID 55142632
ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate
CID 55145440
ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate
CID 63028837
tert-butyl 4-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]piperidine-1-carboxylate
CID 11325452
ethyl 2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)butanoate
CID 63033737
ethyl 2-(cyclohexylamino)nonanoate
CID 63524115
ethyl 2-(cyclopropylamino)-4-(1,2,4-triazol-1-yl)butanoate
CID 63041057
ethyl 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanoate
CID 115561433

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate (CID 60812555) is ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate is CCOC(=O)C(CCSC)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate?
The InChIKey is OABGHFSCVGSUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-13-10(12)9(6-7-14-2)11-8-4-5-8/h8-9,11H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate?
ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate has a molecular weight of 217.33 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate is sourced from PubChem (CID 60812555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).