tert-butyl 3-(tert-butylsulfonylamino)propanoate

C11H23NO4S — CID 174928986

IUPACtert-butyl 3-(tert-butylsulfonylamino)propanoate
SMILESCC(C)(C)OC(=O)CCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23NO4S/c1-10(2,3)16-9(13)7-8-12-17(14,15)11(4,5)6/h12H,7-8H2,1-6H3
InChIKeyMPCNFUDYSMPQDL-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.44
Rot. Bonds4

About tert-butyl 3-(tert-butylsulfonylamino)propanoate

tert-butyl 3-(tert-butylsulfonylamino)propanoate (PubChem CID 174928986) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is tert-butyl 3-(tert-butylsulfonylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(tert-butylsulfonylamino)propanoate
PubChem CID174928986
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Nametert-butyl 3-(tert-butylsulfonylamino)propanoate
SMILESCC(C)(C)OC(=O)CCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23NO4S/c1-10(2,3)16-9(13)7-8-12-17(14,15)11(4,5)6/h12H,7-8H2,1-6H3
InChIKeyMPCNFUDYSMPQDL-UHFFFAOYSA-N
XLogP1.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(methoxyamino)propanoate
CID 10751000
tert-butyl 3-(carbamothioylamino)propanoate
CID 87529411
tert-butyl 3-(2,2-dimethylpropanoylamino)propanoate
CID 79005634
methyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoate
CID 21348248
tert-butyl 3-(naphthalen-1-ylsulfonylamino)propanoate
CID 3667575
ditert-butyl pentanedioate
CID 3016405
tert-butyl 3-(propylamino)propanoate;ethane
CID 143325364
tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate
CID 103237046
tert-butyl 3-[(3-aminophenyl)sulfonylamino]propanoate
CID 70153486
tert-butyl 3-(3-hydroxypropylamino)propanoate
CID 18940757
tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate
CID 103249343
lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 174967926

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(tert-butylsulfonylamino)propanoate?
The IUPAC name of tert-butyl 3-(tert-butylsulfonylamino)propanoate (CID 174928986) is tert-butyl 3-(tert-butylsulfonylamino)propanoate.
What is the SMILES notation for tert-butyl 3-(tert-butylsulfonylamino)propanoate?
The canonical SMILES for tert-butyl 3-(tert-butylsulfonylamino)propanoate is CC(C)(C)OC(=O)CCNS(=O)(=O)C(C)(C)C.
What is the InChIKey of tert-butyl 3-(tert-butylsulfonylamino)propanoate?
The InChIKey is MPCNFUDYSMPQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-10(2,3)16-9(13)7-8-12-17(14,15)11(4,5)6/h12H,7-8H2,1-6H3.
What are the key properties of tert-butyl 3-(tert-butylsulfonylamino)propanoate?
tert-butyl 3-(tert-butylsulfonylamino)propanoate has a molecular weight of 265.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(tert-butylsulfonylamino)propanoate is sourced from PubChem (CID 174928986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).