(2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid

C11H15NO7S — CID 167848056

IUPAC(2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid
SMILESCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(C)o1)C(=O)O
InChIInChI=1S/C11H15NO7S/c1-4-8(10(13)14)12-20(16,17)9-5-7(6(2)19-9)11(15)18-3/h5,8,12H,4H2,1-3H3,(H,13,14)/t8-/m1/s1
InChIKeyUZLBHWADMFWNKV-MRVPVSSYSA-N
MW305.31 g/mol
LogP0.52
Rot. Bonds6

About (2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid

(2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid (PubChem CID 167848056) has the molecular formula C11H15NO7S and a molecular weight of 305.31 g/mol. Its IUPAC name is (2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid
PubChem CID167848056
Molecular FormulaC11H15NO7S
Molecular Weight305.31 g/mol
Exact Mass305.06
IUPAC Name(2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid
SMILESCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(C)o1)C(=O)O
InChIInChI=1S/C11H15NO7S/c1-4-8(10(13)14)12-20(16,17)9-5-7(6(2)19-9)11(15)18-3/h5,8,12H,4H2,1-3H3,(H,13,14)/t8-/m1/s1
InChIKeyUZLBHWADMFWNKV-MRVPVSSYSA-N
XLogP0.52
TPSA122.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]propanoic acid
CID 126803471
methyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate
CID 120715852
methyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119976049
methyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate
CID 120715512
2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonyl-(2-methoxyethyl)amino]acetic acid
CID 126817438
(2R)-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanoic acid
CID 107326445
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
methyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate
CID 170888841
4-methoxycarbonyl-5-methylfuran-2-carboxylic acid
CID 55212082
methyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylfuran-3-carboxylate
CID 119968151
methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate
CID 119967240
2-[(2,4,6-trifluorophenyl)sulfonylamino]butanoic acid
CID 54881567

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid?
The IUPAC name of (2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid (CID 167848056) is (2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid?
The canonical SMILES for (2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid is CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(C)o1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid?
The InChIKey is UZLBHWADMFWNKV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NO7S/c1-4-8(10(13)14)12-20(16,17)9-5-7(6(2)19-9)11(15)18-3/h5,8,12H,4H2,1-3H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid?
(2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid has a molecular weight of 305.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 167848056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).