3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid

C10H19NO6S — CID 43716066

IUPAC3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid
SMILESCCC(C)C(NS(=O)(=O)CCC(=O)O)C(=O)OC
InChIInChI=1S/C10H19NO6S/c1-4-7(2)9(10(14)17-3)11-18(15,16)6-5-8(12)13/h7,9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyJURTZTLWPCFIRS-UHFFFAOYSA-N
MW281.33 g/mol
LogP-0.03
Rot. Bonds8

About 3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid

3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid (PubChem CID 43716066) has the molecular formula C10H19NO6S and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid
PubChem CID43716066
Molecular FormulaC10H19NO6S
Molecular Weight281.33 g/mol
Exact Mass281.09
IUPAC Name3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid
SMILESCCC(C)C(NS(=O)(=O)CCC(=O)O)C(=O)OC
InChIInChI=1S/C10H19NO6S/c1-4-7(2)9(10(14)17-3)11-18(15,16)6-5-8(12)13/h7,9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyJURTZTLWPCFIRS-UHFFFAOYSA-N
XLogP-0.03
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(butan-2-ylsulfamoyl)propanoic acid
CID 43209514
methyl 3-methyl-2-(propan-2-ylsulfonylamino)pentanoate
CID 64585319
3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid
CID 65192775
2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid
CID 61359142
3-(5-methylhexan-2-ylsulfamoyl)propanoic acid
CID 43578597
methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]pentanoate
CID 42912941
3-[[(1S)-1-(4-methylphenyl)ethyl]sulfamoyl]propanoic acid
CID 81350145
ethyl 3-(butan-2-ylsulfamoyl)propanoate
CID 63900304
(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 78972767
methyl (2S,3R)-3-methyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]pentanoate
CID 1381360
3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid
CID 43709145
3-(2-hydroxypropylsulfamoyl)propanoic acid
CID 43499066

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid (CID 43716066) is 3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid is CCC(C)C(NS(=O)(=O)CCC(=O)O)C(=O)OC.
What is the InChIKey of 3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid?
The InChIKey is JURTZTLWPCFIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S/c1-4-7(2)9(10(14)17-3)11-18(15,16)6-5-8(12)13/h7,9,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid?
3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid has a molecular weight of 281.33 g/mol, XLogP of -0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43716066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).