tert-butyl 2-(3-amino-2-ethoxypropyl)sulfonylacetate

C11H23NO5S — CID 116688168

IUPACtert-butyl 2-(3-amino-2-ethoxypropyl)sulfonylacetate
SMILESCCOC(CN)CS(=O)(=O)CC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO5S/c1-5-16-9(6-12)7-18(14,15)8-10(13)17-11(2,3)4/h9H,5-8,12H2,1-4H3
InChIKeyVVDWTRRUMWYHLT-UHFFFAOYSA-N
MW281.37 g/mol
LogP0.11
Rot. Bonds7

About tert-butyl 2-(3-amino-2-ethoxypropyl)sulfonylacetate

tert-butyl 2-(3-amino-2-ethoxypropyl)sulfonylacetate (PubChem CID 116688168) has the molecular formula C11H23NO5S and a molecular weight of 281.37 g/mol. Its IUPAC name is tert-butyl 2-(3-amino-2-ethoxypropyl)sulfonylacetate.

Molecular Properties

Compound Nametert-butyl 2-(3-amino-2-ethoxypropyl)sulfonylacetate
PubChem CID116688168
Molecular FormulaC11H23NO5S
Molecular Weight281.37 g/mol
Exact Mass281.13
IUPAC Nametert-butyl 2-(3-amino-2-ethoxypropyl)sulfonylacetate
SMILESCCOC(CN)CS(=O)(=O)CC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO5S/c1-5-16-9(6-12)7-18(14,15)8-10(13)17-11(2,3)4/h9H,5-8,12H2,1-4H3
InChIKeyVVDWTRRUMWYHLT-UHFFFAOYSA-N
XLogP0.11
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]sulfonylacetate
CID 103372601
tert-butyl 2-[3,3-dimethyl-2-(methylamino)butyl]sulfonylacetate
CID 116687671
tert-butyl 4-amino-3-methoxybutanoate
CID 102921115
tert-butyl 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfonylpropanoate
CID 116686610
tert-butyl 2-(3,3-dimethyl-2-oxobutyl)sulfonylacetate
CID 116688131
tert-butyl 3,3-diethoxypropanoate
CID 13066056
tert-butyl 5-(2-aminoethoxy)-4-ethoxypentanoate
CID 175563215
3-(4-tert-butylphenyl)sulfonyl-2-ethoxypropan-1-amine
CID 64697398
methyl 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfonylpropanoate
CID 116686629
tert-butyl 2-amino-2-ethoxyacetate
CID 151650048
tert-butyl 2-[3-(ethylamino)propylsulfonyl]acetate
CID 116687637
tert-butyl 5-amino-3-ethyl-4-hydroxypentanoate
CID 59026228

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-amino-2-ethoxypropyl)sulfonylacetate?
The IUPAC name of tert-butyl 2-(3-amino-2-ethoxypropyl)sulfonylacetate (CID 116688168) is tert-butyl 2-(3-amino-2-ethoxypropyl)sulfonylacetate.
What is the SMILES notation for tert-butyl 2-(3-amino-2-ethoxypropyl)sulfonylacetate?
The canonical SMILES for tert-butyl 2-(3-amino-2-ethoxypropyl)sulfonylacetate is CCOC(CN)CS(=O)(=O)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(3-amino-2-ethoxypropyl)sulfonylacetate?
The InChIKey is VVDWTRRUMWYHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5S/c1-5-16-9(6-12)7-18(14,15)8-10(13)17-11(2,3)4/h9H,5-8,12H2,1-4H3.
What are the key properties of tert-butyl 2-(3-amino-2-ethoxypropyl)sulfonylacetate?
tert-butyl 2-(3-amino-2-ethoxypropyl)sulfonylacetate has a molecular weight of 281.37 g/mol, XLogP of 0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-amino-2-ethoxypropyl)sulfonylacetate is sourced from PubChem (CID 116688168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).