2-[(2-ethyl-5-methoxycarbonylfuran-3-yl)sulfonylamino]propanoic acid

C11H15NO7S — CID 122068193

IUPAC2-[(2-ethyl-5-methoxycarbonylfuran-3-yl)sulfonylamino]propanoic acid
SMILESCCc1oc(C(=O)OC)cc1S(=O)(=O)NC(C)C(=O)O
InChIInChI=1S/C11H15NO7S/c1-4-7-9(5-8(19-7)11(15)18-3)20(16,17)12-6(2)10(13)14/h5-6,12H,4H2,1-3H3,(H,13,14)
InChIKeyAVMQIPWKZREQLF-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.38
Rot. Bonds6

About 2-[(2-ethyl-5-methoxycarbonylfuran-3-yl)sulfonylamino]propanoic acid

2-[(2-ethyl-5-methoxycarbonylfuran-3-yl)sulfonylamino]propanoic acid (PubChem CID 122068193) has the molecular formula C11H15NO7S and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methoxycarbonylfuran-3-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-5-methoxycarbonylfuran-3-yl)sulfonylamino]propanoic acid
PubChem CID122068193
Molecular FormulaC11H15NO7S
Molecular Weight305.31 g/mol
Exact Mass305.06
IUPAC Name2-[(2-ethyl-5-methoxycarbonylfuran-3-yl)sulfonylamino]propanoic acid
SMILESCCc1oc(C(=O)OC)cc1S(=O)(=O)NC(C)C(=O)O
InChIInChI=1S/C11H15NO7S/c1-4-7-9(5-8(19-7)11(15)18-3)20(16,17)12-6(2)10(13)14/h5-6,12H,4H2,1-3H3,(H,13,14)
InChIKeyAVMQIPWKZREQLF-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-ethyl-4-[2-(propylamino)ethylsulfamoyl]furan-2-carboxylate
CID 120715901
methyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-5-ethylfuran-2-carboxylate
CID 120723866
(2S)-2-[(5-ethoxycarbonyl-2-methoxyphenyl)sulfonylamino]propanoic acid
CID 120968720
(2S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]propanoic acid
CID 122069816
2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid
CID 122068063
methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate
CID 120664764
(2S)-2-[(2-methoxy-4-nitrophenyl)sulfonylamino]propanoic acid
CID 61132115
5-bromo-4-(3-ethylpentan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 63843662
4-ethyl-3-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid
CID 60780469
(2S)-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfonylamino]propanoic acid
CID 120660272
4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 55119920
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid
CID 54991538

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-methoxycarbonylfuran-3-yl)sulfonylamino]propanoic acid?
The IUPAC name of 2-[(2-ethyl-5-methoxycarbonylfuran-3-yl)sulfonylamino]propanoic acid (CID 122068193) is 2-[(2-ethyl-5-methoxycarbonylfuran-3-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[(2-ethyl-5-methoxycarbonylfuran-3-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-[(2-ethyl-5-methoxycarbonylfuran-3-yl)sulfonylamino]propanoic acid is CCc1oc(C(=O)OC)cc1S(=O)(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[(2-ethyl-5-methoxycarbonylfuran-3-yl)sulfonylamino]propanoic acid?
The InChIKey is AVMQIPWKZREQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO7S/c1-4-7-9(5-8(19-7)11(15)18-3)20(16,17)12-6(2)10(13)14/h5-6,12H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-[(2-ethyl-5-methoxycarbonylfuran-3-yl)sulfonylamino]propanoic acid?
2-[(2-ethyl-5-methoxycarbonylfuran-3-yl)sulfonylamino]propanoic acid has a molecular weight of 305.31 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methoxycarbonylfuran-3-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 122068193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).