ethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate

C12H22N2O5S — CID 62027795

IUPACethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate
SMILESCCOC(=O)CN(CCS(=O)(=O)CCC(N)=O)C1CC1
InChIInChI=1S/C12H22N2O5S/c1-2-19-12(16)9-14(10-3-4-10)6-8-20(17,18)7-5-11(13)15/h10H,2-9H2,1H3,(H2,13,15)
InChIKeyXUFCGMLZYXCBIM-UHFFFAOYSA-N
MW306.38 g/mol
LogP-0.70
Rot. Bonds10

About ethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate

ethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate (PubChem CID 62027795) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is ethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate
PubChem CID62027795
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Nameethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate
SMILESCCOC(=O)CN(CCS(=O)(=O)CCC(N)=O)C1CC1
InChIInChI=1S/C12H22N2O5S/c1-2-19-12(16)9-14(10-3-4-10)6-8-20(17,18)7-5-11(13)15/h10H,2-9H2,1H3,(H2,13,15)
InChIKeyXUFCGMLZYXCBIM-UHFFFAOYSA-N
XLogP-0.70
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl 2-[ethyl(piperidin-4-yl)amino]acetate
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ethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate
CID 65214070
ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate
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ethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate (CID 62027795) is ethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate is CCOC(=O)CN(CCS(=O)(=O)CCC(N)=O)C1CC1.
What is the InChIKey of ethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate?
The InChIKey is XUFCGMLZYXCBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-2-19-12(16)9-14(10-3-4-10)6-8-20(17,18)7-5-11(13)15/h10H,2-9H2,1H3,(H2,13,15).
What are the key properties of ethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate?
ethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate has a molecular weight of 306.38 g/mol, XLogP of -0.70, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate is sourced from PubChem (CID 62027795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).