2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-propan-2-ylamino]acetic acid

C12H18N2O6S — CID 120518391

IUPAC2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-propan-2-ylamino]acetic acid
SMILESCNS(=O)(=O)c1cc(C(=O)N(CC(=O)O)C(C)C)c(C)o1
InChIInChI=1S/C12H18N2O6S/c1-7(2)14(6-10(15)16)12(17)9-5-11(20-8(9)3)21(18,19)13-4/h5,7,13H,6H2,1-4H3,(H,15,16)
InChIKeyWXAPUTWYKHXSKO-UHFFFAOYSA-N
MW318.35 g/mol
LogP0.43
Rot. Bonds6

About 2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-propan-2-ylamino]acetic acid

2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-propan-2-ylamino]acetic acid (PubChem CID 120518391) has the molecular formula C12H18N2O6S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-propan-2-ylamino]acetic acid
PubChem CID120518391
Molecular FormulaC12H18N2O6S
Molecular Weight318.35 g/mol
Exact Mass318.09
IUPAC Name2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-propan-2-ylamino]acetic acid
SMILESCNS(=O)(=O)c1cc(C(=O)N(CC(=O)O)C(C)C)c(C)o1
InChIInChI=1S/C12H18N2O6S/c1-7(2)14(6-10(15)16)12(17)9-5-11(20-8(9)3)21(18,19)13-4/h5,7,13H,6H2,1-4H3,(H,15,16)
InChIKeyWXAPUTWYKHXSKO-UHFFFAOYSA-N
XLogP0.43
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]butanoic acid
CID 119348380
7-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]heptanoic acid
CID 119350785
N-[2-(ethylamino)ethyl]-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide
CID 119507697
2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid
CID 60832013
2-methyl-5-(methylsulfamoyl)-N-(2-thiophen-3-ylpropyl)furan-3-carboxamide
CID 71860079
2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid
CID 119954468
methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate
CID 54942114
2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid
CID 119346496
1-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 120531056
2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid
CID 120528782
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide;hydrochloride
CID 119615923
cis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674746

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-propan-2-ylamino]acetic acid (CID 120518391) is 2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-propan-2-ylamino]acetic acid is CNS(=O)(=O)c1cc(C(=O)N(CC(=O)O)C(C)C)c(C)o1.
What is the InChIKey of 2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-propan-2-ylamino]acetic acid?
The InChIKey is WXAPUTWYKHXSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6S/c1-7(2)14(6-10(15)16)12(17)9-5-11(20-8(9)3)21(18,19)13-4/h5,7,13H,6H2,1-4H3,(H,15,16).
What are the key properties of 2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-propan-2-ylamino]acetic acid?
2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-propan-2-ylamino]acetic acid has a molecular weight of 318.35 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 120518391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).