2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)sulfamoyl]acetic acid

C10H19NO6S — CID 60951198

IUPAC2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)sulfamoyl]acetic acid
SMILESCOC(=O)CCN(CC(C)C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C10H19NO6S/c1-8(2)6-11(5-4-10(14)17-3)18(15,16)7-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyGURZBIPDIHMAKG-UHFFFAOYSA-N
MW281.33 g/mol
LogP-0.08
Rot. Bonds8

About 2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)sulfamoyl]acetic acid

2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)sulfamoyl]acetic acid (PubChem CID 60951198) has the molecular formula C10H19NO6S and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)sulfamoyl]acetic acid
PubChem CID60951198
Molecular FormulaC10H19NO6S
Molecular Weight281.33 g/mol
Exact Mass281.09
IUPAC Name2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)sulfamoyl]acetic acid
SMILESCOC(=O)CCN(CC(C)C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C10H19NO6S/c1-8(2)6-11(5-4-10(14)17-3)18(15,16)7-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyGURZBIPDIHMAKG-UHFFFAOYSA-N
XLogP-0.08
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-Methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60951737
3-[(3-Methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60951739
2-[(3-Methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61458085
Methyl 3-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64584560
Methyl 3-[propylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64584751
Methyl 2-methyl-3-[methyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate
CID 82902849
Methyl 3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate
CID 83059110
3-[Ethyl(4,4,4-trifluorobutylsulfonyl)amino]-2-methylpropanoic acid
CID 83068401
2-Methyl-3-[methyl(4,4,4-trifluorobutylsulfonyl)amino]propanoic acid
CID 83068691
3-[3-Fluoropropylsulfonyl(methyl)amino]-2-methylpropanoic acid
CID 120397697
3-[4-Fluorobutylsulfonyl(methyl)amino]-2-methylpropanoic acid
CID 121617586
2-Methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]amino]propanoic acid
CID 122072818

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)sulfamoyl]acetic acid (CID 60951198) is 2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)sulfamoyl]acetic acid is COC(=O)CCN(CC(C)C)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)sulfamoyl]acetic acid?
The InChIKey is GURZBIPDIHMAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S/c1-8(2)6-11(5-4-10(14)17-3)18(15,16)7-9(12)13/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)sulfamoyl]acetic acid?
2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)sulfamoyl]acetic acid has a molecular weight of 281.33 g/mol, XLogP of -0.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)sulfamoyl]acetic acid is sourced from PubChem (CID 60951198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).