methyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate

C9H17NO5S — CID 64994359

IUPACmethyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate
SMILESCCC(=O)C(C)NS(=O)(=O)CCC(=O)OC
InChIInChI=1S/C9H17NO5S/c1-4-8(11)7(2)10-16(13,14)6-5-9(12)15-3/h7,10H,4-6H2,1-3H3
InChIKeyFCJGMGYQAXLBHT-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.16
Rot. Bonds7

About methyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate

methyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate (PubChem CID 64994359) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is methyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate
PubChem CID64994359
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Namemethyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate
SMILESCCC(=O)C(C)NS(=O)(=O)CCC(=O)OC
InChIInChI=1S/C9H17NO5S/c1-4-8(11)7(2)10-16(13,14)6-5-9(12)15-3/h7,10H,4-6H2,1-3H3
InChIKeyFCJGMGYQAXLBHT-UHFFFAOYSA-N
XLogP-0.16
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(propan-2-ylsulfamoyl)propanoate
CID 64590435
ethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate
CID 64993843
(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 78972767
methyl 3-(1-cyanoethylsulfamoyl)propanoate
CID 61458553
methyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate
CID 61460199
methyl 3-ethylsulfonylpropanoate
CID 19377555
methyl 3-(pent-1-yn-3-ylsulfamoyl)propanoate
CID 106228812
methyl 3-propan-2-ylsulfonylpropanoate
CID 60874578
methyl 3-(2-methoxypropylsulfamoyl)propanoate
CID 102697663
(2S)-3-hydroxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 61458313
methyl 4-[methyl-[2-(propylsulfonylamino)propanoyl]amino]butanoate
CID 60714617
methyl 3-(3-hydroxybutylsulfamoyl)propanoate
CID 64912074

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate?
The IUPAC name of methyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate (CID 64994359) is methyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate.
What is the SMILES notation for methyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate?
The canonical SMILES for methyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate is CCC(=O)C(C)NS(=O)(=O)CCC(=O)OC.
What is the InChIKey of methyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate?
The InChIKey is FCJGMGYQAXLBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-4-8(11)7(2)10-16(13,14)6-5-9(12)15-3/h7,10H,4-6H2,1-3H3.
What are the key properties of methyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate?
methyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate has a molecular weight of 251.30 g/mol, XLogP of -0.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate is sourced from PubChem (CID 64994359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).