3-hydroxy-4-[(4-methoxy-4-oxobutyl)sulfonylamino]-3-methylbutanoic acid

C10H19NO7S — CID 66002556

IUPAC3-hydroxy-4-[(4-methoxy-4-oxobutyl)sulfonylamino]-3-methylbutanoic acid
SMILESCOC(=O)CCCS(=O)(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C10H19NO7S/c1-10(15,6-8(12)13)7-11-19(16,17)5-3-4-9(14)18-2/h11,15H,3-7H2,1-2H3,(H,12,13)
InChIKeyQIZBQTUPYYYMCN-UHFFFAOYSA-N
MW297.33 g/mol
LogP-0.92
Rot. Bonds9

About 3-hydroxy-4-[(4-methoxy-4-oxobutyl)sulfonylamino]-3-methylbutanoic acid

3-hydroxy-4-[(4-methoxy-4-oxobutyl)sulfonylamino]-3-methylbutanoic acid (PubChem CID 66002556) has the molecular formula C10H19NO7S and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-hydroxy-4-[(4-methoxy-4-oxobutyl)sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[(4-methoxy-4-oxobutyl)sulfonylamino]-3-methylbutanoic acid
PubChem CID66002556
Molecular FormulaC10H19NO7S
Molecular Weight297.33 g/mol
Exact Mass297.09
IUPAC Name3-hydroxy-4-[(4-methoxy-4-oxobutyl)sulfonylamino]-3-methylbutanoic acid
SMILESCOC(=O)CCCS(=O)(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C10H19NO7S/c1-10(15,6-8(12)13)7-11-19(16,17)5-3-4-9(14)18-2/h11,15H,3-7H2,1-2H3,(H,12,13)
InChIKeyQIZBQTUPYYYMCN-UHFFFAOYSA-N
XLogP-0.92
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate
CID 115303566
methyl 4-(2,2,2-trifluoroethylsulfamoyl)butanoate
CID 61460318
3-hydroxy-4-(methanesulfonamido)-3-methylbutanoic acid
CID 66003148
methyl 4-(3-methylsulfonylpropylsulfamoyl)butanoate
CID 54951863
(2S)-2-hydroxy-3-[(4-methoxy-4-oxobutyl)sulfonylamino]propanoic acid
CID 104935864
methyl 4-(3-iodopropylsulfamoyl)butanoate
CID 106442100
methyl 4-(prop-2-enylsulfamoyl)butanoate
CID 61460361
4-(benzylsulfonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66001767
4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid
CID 114940682
methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate
CID 54952641
3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 66001000
methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate
CID 66177756

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(4-methoxy-4-oxobutyl)sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of 3-hydroxy-4-[(4-methoxy-4-oxobutyl)sulfonylamino]-3-methylbutanoic acid (CID 66002556) is 3-hydroxy-4-[(4-methoxy-4-oxobutyl)sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for 3-hydroxy-4-[(4-methoxy-4-oxobutyl)sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for 3-hydroxy-4-[(4-methoxy-4-oxobutyl)sulfonylamino]-3-methylbutanoic acid is COC(=O)CCCS(=O)(=O)NCC(C)(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-4-[(4-methoxy-4-oxobutyl)sulfonylamino]-3-methylbutanoic acid?
The InChIKey is QIZBQTUPYYYMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO7S/c1-10(15,6-8(12)13)7-11-19(16,17)5-3-4-9(14)18-2/h11,15H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-hydroxy-4-[(4-methoxy-4-oxobutyl)sulfonylamino]-3-methylbutanoic acid?
3-hydroxy-4-[(4-methoxy-4-oxobutyl)sulfonylamino]-3-methylbutanoic acid has a molecular weight of 297.33 g/mol, XLogP of -0.92, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[(4-methoxy-4-oxobutyl)sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 66002556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).