2-[(methoxycarbonylsulfamoylamino)methyl]-4,4-dimethylpentanoic acid

C10H20N2O6S — CID 107474628

IUPAC2-[(methoxycarbonylsulfamoylamino)methyl]-4,4-dimethylpentanoic acid
SMILESCOC(=O)NS(=O)(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C10H20N2O6S/c1-10(2,3)5-7(8(13)14)6-11-19(16,17)12-9(15)18-4/h7,11H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyZZGVBBBZGGOLBE-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.31
Rot. Bonds6

About 2-[(methoxycarbonylsulfamoylamino)methyl]-4,4-dimethylpentanoic acid

2-[(methoxycarbonylsulfamoylamino)methyl]-4,4-dimethylpentanoic acid (PubChem CID 107474628) has the molecular formula C10H20N2O6S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[(methoxycarbonylsulfamoylamino)methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[(methoxycarbonylsulfamoylamino)methyl]-4,4-dimethylpentanoic acid
PubChem CID107474628
Molecular FormulaC10H20N2O6S
Molecular Weight296.35 g/mol
Exact Mass296.10
IUPAC Name2-[(methoxycarbonylsulfamoylamino)methyl]-4,4-dimethylpentanoic acid
SMILESCOC(=O)NS(=O)(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C10H20N2O6S/c1-10(2,3)5-7(8(13)14)6-11-19(16,17)12-9(15)18-4/h7,11H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyZZGVBBBZGGOLBE-UHFFFAOYSA-N
XLogP0.31
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(methoxycarbonylsulfamoylamino)methyl]-4,4-dimethylpentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(methoxycarbonylsulfamoylamino)methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[(methoxycarbonylsulfamoylamino)methyl]-4,4-dimethylpentanoic acid (CID 107474628) is 2-[(methoxycarbonylsulfamoylamino)methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[(methoxycarbonylsulfamoylamino)methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[(methoxycarbonylsulfamoylamino)methyl]-4,4-dimethylpentanoic acid is COC(=O)NS(=O)(=O)NCC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[(methoxycarbonylsulfamoylamino)methyl]-4,4-dimethylpentanoic acid?
The InChIKey is ZZGVBBBZGGOLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O6S/c1-10(2,3)5-7(8(13)14)6-11-19(16,17)12-9(15)18-4/h7,11H,5-6H2,1-4H3,(H,12,15)(H,13,14).
What are the key properties of 2-[(methoxycarbonylsulfamoylamino)methyl]-4,4-dimethylpentanoic acid?
2-[(methoxycarbonylsulfamoylamino)methyl]-4,4-dimethylpentanoic acid has a molecular weight of 296.35 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(methoxycarbonylsulfamoylamino)methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107474628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).