3-(furan-2-ylsulfonylamino)-4-methoxy-3-methylbutanoic acid

C10H15NO6S — CID 154865107

IUPAC3-(furan-2-ylsulfonylamino)-4-methoxy-3-methylbutanoic acid
SMILESCOCC(C)(CC(=O)O)NS(=O)(=O)c1ccco1
InChIInChI=1S/C10H15NO6S/c1-10(7-16-2,6-8(12)13)11-18(14,15)9-4-3-5-17-9/h3-5,11H,6-7H2,1-2H3,(H,12,13)
InChIKeyRNUHMCYRAJKICM-UHFFFAOYSA-N
MW277.30 g/mol
LogP0.44
Rot. Bonds7

About 3-(furan-2-ylsulfonylamino)-4-methoxy-3-methylbutanoic acid

3-(furan-2-ylsulfonylamino)-4-methoxy-3-methylbutanoic acid (PubChem CID 154865107) has the molecular formula C10H15NO6S and a molecular weight of 277.30 g/mol. Its IUPAC name is 3-(furan-2-ylsulfonylamino)-4-methoxy-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(furan-2-ylsulfonylamino)-4-methoxy-3-methylbutanoic acid
PubChem CID154865107
Molecular FormulaC10H15NO6S
Molecular Weight277.30 g/mol
Exact Mass277.06
IUPAC Name3-(furan-2-ylsulfonylamino)-4-methoxy-3-methylbutanoic acid
SMILESCOCC(C)(CC(=O)O)NS(=O)(=O)c1ccco1
InChIInChI=1S/C10H15NO6S/c1-10(7-16-2,6-8(12)13)11-18(14,15)9-4-3-5-17-9/h3-5,11H,6-7H2,1-2H3,(H,12,13)
InChIKeyRNUHMCYRAJKICM-UHFFFAOYSA-N
XLogP0.44
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 3,3,3-trifluoro-2-(furan-3-ylsulfonylamino)-2-methylpropanoate
CID 138005794
4,4-Difluoro-3-(furan-3-ylsulfonylamino)-3-methylbutanoic acid
CID 166289271
4,4-Difluoro-3-methyl-3-[(4-methylfuran-2-yl)sulfonylamino]butanoic acid
CID 167986115
2-(Furan-2-ylsulfonylamino)butanoic acid
CID 68573620
4-(Furan-2-ylsulfonylamino)butanoic acid
CID 68573622
2-(Furan-3-ylsulfonylamino)butanoic acid
CID 68877528
2-(Furan-3-ylsulfonylamino)-3-methylbutanoic acid
CID 69045373
N-(2-hydroxypropan-2-yl)furan-2-sulfonamide
CID 70147132
N-tert-butylfuran-2-sulfonamide
CID 130652820
5-(Tert-butylsulfamoyl)furan-3-carboxylic acid
CID 167494093
N-tert-butylfuran-3-sulfonamide
CID 14774743
2-(Tert-butylsulfamoyl)furan-3-carboxylic acid
CID 117062152

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylsulfonylamino)-4-methoxy-3-methylbutanoic acid?
The IUPAC name of 3-(furan-2-ylsulfonylamino)-4-methoxy-3-methylbutanoic acid (CID 154865107) is 3-(furan-2-ylsulfonylamino)-4-methoxy-3-methylbutanoic acid.
What is the SMILES notation for 3-(furan-2-ylsulfonylamino)-4-methoxy-3-methylbutanoic acid?
The canonical SMILES for 3-(furan-2-ylsulfonylamino)-4-methoxy-3-methylbutanoic acid is COCC(C)(CC(=O)O)NS(=O)(=O)c1ccco1.
What is the InChIKey of 3-(furan-2-ylsulfonylamino)-4-methoxy-3-methylbutanoic acid?
The InChIKey is RNUHMCYRAJKICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6S/c1-10(7-16-2,6-8(12)13)11-18(14,15)9-4-3-5-17-9/h3-5,11H,6-7H2,1-2H3,(H,12,13).
What are the key properties of 3-(furan-2-ylsulfonylamino)-4-methoxy-3-methylbutanoic acid?
3-(furan-2-ylsulfonylamino)-4-methoxy-3-methylbutanoic acid has a molecular weight of 277.30 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylsulfonylamino)-4-methoxy-3-methylbutanoic acid is sourced from PubChem (CID 154865107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).