methyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate

C11H22N2O6S — CID 22627927

IUPACmethyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate
SMILESCCOC(=O)C(C)NS(=O)(=O)NC(C(=O)OC)C(C)C
InChIInChI=1S/C11H22N2O6S/c1-6-19-10(14)8(4)12-20(16,17)13-9(7(2)3)11(15)18-5/h7-9,12-13H,6H2,1-5H3
InChIKeyJEHSMEIFQOCUAO-UHFFFAOYSA-N
MW310.37 g/mol
LogP-0.44
Rot. Bonds8

About methyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate

methyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate (PubChem CID 22627927) has the molecular formula C11H22N2O6S and a molecular weight of 310.37 g/mol. Its IUPAC name is methyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate
PubChem CID22627927
Molecular FormulaC11H22N2O6S
Molecular Weight310.37 g/mol
Exact Mass310.12
IUPAC Namemethyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate
SMILESCCOC(=O)C(C)NS(=O)(=O)NC(C(=O)OC)C(C)C
InChIInChI=1S/C11H22N2O6S/c1-6-19-10(14)8(4)12-20(16,17)13-9(7(2)3)11(15)18-5/h7-9,12-13H,6H2,1-5H3
InChIKeyJEHSMEIFQOCUAO-UHFFFAOYSA-N
XLogP-0.44
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(ethylsulfamoylamino)-3-methylbutanoate
CID 114811430
ethyl 2-(ethylsulfamoylamino)propanoate
CID 115638422
methyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate
CID 114811428
ethyl 2-(3-methylbutylsulfonylamino)propanoate
CID 55259465
methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate
CID 63821804
ethyl 2-(methylsulfonylmethylsulfonylamino)propanoate
CID 82842273
methyl (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutanoate
CID 113494507
ethyl 2-[(4-amino-2,6-dimethylphenyl)sulfonylamino]propanoate
CID 79588437
methyl 3-methyl-2-[[propan-2-yl(prop-2-enyl)sulfamoyl]-prop-2-enylamino]butanoate;methyl 3-methyl-2-(propan-2-ylsulfamoylamino)butanoate
CID 90791035
methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323
ethyl 2-[(3-amino-5-methylphenyl)sulfonylamino]propanoate
CID 61498508
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate (CID 22627927) is methyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate is CCOC(=O)C(C)NS(=O)(=O)NC(C(=O)OC)C(C)C.
What is the InChIKey of methyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate?
The InChIKey is JEHSMEIFQOCUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O6S/c1-6-19-10(14)8(4)12-20(16,17)13-9(7(2)3)11(15)18-5/h7-9,12-13H,6H2,1-5H3.
What are the key properties of methyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate?
methyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate has a molecular weight of 310.37 g/mol, XLogP of -0.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate is sourced from PubChem (CID 22627927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).