ethyl 2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfonylacetate

C10H19NO5S — CID 113317953

IUPACethyl 2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)CC(O)CNC1CC1
InChIInChI=1S/C10H19NO5S/c1-2-16-10(13)7-17(14,15)6-9(12)5-11-8-3-4-8/h8-9,11-12H,2-7H2,1H3
InChIKeyLGFQXCQCZYOPQD-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.92
Rot. Bonds8

About ethyl 2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfonylacetate

ethyl 2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfonylacetate (PubChem CID 113317953) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfonylacetate.

Molecular Properties

Compound Nameethyl 2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfonylacetate
PubChem CID113317953
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Nameethyl 2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)CC(O)CNC1CC1
InChIInChI=1S/C10H19NO5S/c1-2-16-10(13)7-17(14,15)6-9(12)5-11-8-3-4-8/h8-9,11-12H,2-7H2,1H3
InChIKeyLGFQXCQCZYOPQD-UHFFFAOYSA-N
XLogP-0.92
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(cyclopropylamino)-3-pentylsulfonylpropan-2-ol
CID 107766075
ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate
CID 103255881
ethyl 2-propylsulfonylacetate
CID 21245347
4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 61457089
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
ethyl 2-[2-amino-2-(oxolan-3-yl)ethyl]sulfonylacetate
CID 104754116
4-(2-hydroxybutylamino)cyclohexane-1-carboxamide
CID 61042883
ethyl 2-cyclopropylsulfonylacetate
CID 56604727
ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate
CID 54951121
ethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate
CID 65189082
ethyl 2-[2-(propylamino)pentylsulfonyl]acetate
CID 64674787
ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate
CID 103268251

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfonylacetate?
The IUPAC name of ethyl 2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfonylacetate (CID 113317953) is ethyl 2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfonylacetate.
What is the SMILES notation for ethyl 2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfonylacetate?
The canonical SMILES for ethyl 2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfonylacetate is CCOC(=O)CS(=O)(=O)CC(O)CNC1CC1.
What is the InChIKey of ethyl 2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfonylacetate?
The InChIKey is LGFQXCQCZYOPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-2-16-10(13)7-17(14,15)6-9(12)5-11-8-3-4-8/h8-9,11-12H,2-7H2,1H3.
What are the key properties of ethyl 2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfonylacetate?
ethyl 2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfonylacetate has a molecular weight of 265.33 g/mol, XLogP of -0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfonylacetate is sourced from PubChem (CID 113317953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).