3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid

C10H22N2O6S — CID 106252638

IUPAC3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid
SMILESCOCCC(C)(O)CNS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C10H22N2O6S/c1-10(15,5-7-18-3)8-11-19(16,17)12(2)6-4-9(13)14/h11,15H,4-8H2,1-3H3,(H,13,14)
InChIKeyOHKUNPBSYMDHHA-UHFFFAOYSA-N
MW298.36 g/mol
LogP-0.99
Rot. Bonds10

About 3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid

3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid (PubChem CID 106252638) has the molecular formula C10H22N2O6S and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid
PubChem CID106252638
Molecular FormulaC10H22N2O6S
Molecular Weight298.36 g/mol
Exact Mass298.12
IUPAC Name3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid
SMILESCOCCC(C)(O)CNS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C10H22N2O6S/c1-10(15,5-7-18-3)8-11-19(16,17)12(2)6-4-9(13)14/h11,15H,4-8H2,1-3H3,(H,13,14)
InChIKeyOHKUNPBSYMDHHA-UHFFFAOYSA-N
XLogP-0.99
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoic acid
CID 115358309
3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid
CID 113405032
3-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propanoic acid
CID 79548328
1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide
CID 103834963
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid
CID 106249581
3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid
CID 83142369
3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid
CID 102695739
ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate
CID 114816338
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide
CID 103697669
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,2-dimethylbutanamide
CID 103712407
N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321
1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide
CID 106252817

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid (CID 106252638) is 3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid is COCCC(C)(O)CNS(=O)(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid?
The InChIKey is OHKUNPBSYMDHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O6S/c1-10(15,5-7-18-3)8-11-19(16,17)12(2)6-4-9(13)14/h11,15H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid?
3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid has a molecular weight of 298.36 g/mol, XLogP of -0.99, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid is sourced from PubChem (CID 106252638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).