3-[(3-methoxy-2,2-dimethyl-3-oxopropyl)sulfamoyl-methylamino]propanoic acid

C10H20N2O6S — CID 114283672

IUPAC3-[(3-methoxy-2,2-dimethyl-3-oxopropyl)sulfamoyl-methylamino]propanoic acid
SMILESCOC(=O)C(C)(C)CNS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C10H20N2O6S/c1-10(2,9(15)18-4)7-11-19(16,17)12(3)6-5-8(13)14/h11H,5-7H2,1-4H3,(H,13,14)
InChIKeyQSRXQOIEHLYJBQ-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.57
Rot. Bonds8

About 3-[(3-methoxy-2,2-dimethyl-3-oxopropyl)sulfamoyl-methylamino]propanoic acid

3-[(3-methoxy-2,2-dimethyl-3-oxopropyl)sulfamoyl-methylamino]propanoic acid (PubChem CID 114283672) has the molecular formula C10H20N2O6S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-[(3-methoxy-2,2-dimethyl-3-oxopropyl)sulfamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-methoxy-2,2-dimethyl-3-oxopropyl)sulfamoyl-methylamino]propanoic acid
PubChem CID114283672
Molecular FormulaC10H20N2O6S
Molecular Weight296.35 g/mol
Exact Mass296.10
IUPAC Name3-[(3-methoxy-2,2-dimethyl-3-oxopropyl)sulfamoyl-methylamino]propanoic acid
SMILESCOC(=O)C(C)(C)CNS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C10H20N2O6S/c1-10(2,9(15)18-4)7-11-19(16,17)12(3)6-5-8(13)14/h11H,5-7H2,1-4H3,(H,13,14)
InChIKeyQSRXQOIEHLYJBQ-UHFFFAOYSA-N
XLogP-0.57
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-2,2-dimethyl-3-oxopropyl)sulfamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[(3-methoxy-2,2-dimethyl-3-oxopropyl)sulfamoyl-methylamino]propanoic acid (CID 114283672) is 3-[(3-methoxy-2,2-dimethyl-3-oxopropyl)sulfamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[(3-methoxy-2,2-dimethyl-3-oxopropyl)sulfamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[(3-methoxy-2,2-dimethyl-3-oxopropyl)sulfamoyl-methylamino]propanoic acid is COC(=O)C(C)(C)CNS(=O)(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[(3-methoxy-2,2-dimethyl-3-oxopropyl)sulfamoyl-methylamino]propanoic acid?
The InChIKey is QSRXQOIEHLYJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O6S/c1-10(2,9(15)18-4)7-11-19(16,17)12(3)6-5-8(13)14/h11H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 3-[(3-methoxy-2,2-dimethyl-3-oxopropyl)sulfamoyl-methylamino]propanoic acid?
3-[(3-methoxy-2,2-dimethyl-3-oxopropyl)sulfamoyl-methylamino]propanoic acid has a molecular weight of 296.35 g/mol, XLogP of -0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-2,2-dimethyl-3-oxopropyl)sulfamoyl-methylamino]propanoic acid is sourced from PubChem (CID 114283672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).