methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate

C10H19NO2S — CID 63915905

IUPACmethyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate
SMILESCCSCC(NC)(C(=O)OC)C1CC1
InChIInChI=1S/C10H19NO2S/c1-4-14-7-10(11-2,8-5-6-8)9(12)13-3/h8,11H,4-7H2,1-3H3
InChIKeyUBHUBEOWFKHPOI-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.28
Rot. Bonds6

About methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate

methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate (PubChem CID 63915905) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate
PubChem CID63915905
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Namemethyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate
SMILESCCSCC(NC)(C(=O)OC)C1CC1
InChIInChI=1S/C10H19NO2S/c1-4-14-7-10(11-2,8-5-6-8)9(12)13-3/h8,11H,4-7H2,1-3H3
InChIKeyUBHUBEOWFKHPOI-UHFFFAOYSA-N
XLogP1.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-butylsulfanyl-2-cyclopropyl-2-(methylamino)propanoate
CID 63917639
methyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate
CID 63921449
methyl 2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propanoate
CID 63921067
methyl 2-cyclopropyl-2-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]propanoate
CID 63918885
methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate
CID 63919167
methyl 2-cyclopropyl-2-(ethylamino)-3-[2-(methylamino)-2-oxoethyl]sulfanylpropanoate
CID 114231919
methyl 3-(3-chlorophenyl)sulfanyl-2-cyclopropyl-2-(methylamino)propanoate
CID 63919465
ethyl 2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanoate
CID 66128328
methyl 2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropanoate
CID 107782150
methyl 2-cyclopropyl-2-(methylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanoate
CID 63915739
2-cyclopropyl-2-(methylamino)-3-methylsulfanylpropanoic acid
CID 63919450
methyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate
CID 102984337

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate (CID 63915905) is methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate is CCSCC(NC)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate?
The InChIKey is UBHUBEOWFKHPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-4-14-7-10(11-2,8-5-6-8)9(12)13-3/h8,11H,4-7H2,1-3H3.
What are the key properties of methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate?
methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate has a molecular weight of 217.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate is sourced from PubChem (CID 63915905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).