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

C9H11NO7S — CID 39733384

IUPAC3-[(5-methoxycarbonylfuran-2-yl)sulfonylamino]propanoic acid
SMILESCOC(=O)c1ccc(S(=O)(=O)NCCC(=O)O)o1
InChIInChI=1S/C9H11NO7S/c1-16-9(13)6-2-3-8(17-6)18(14,15)10-5-4-7(11)12/h2-3,10H,4-5H2,1H3,(H,11,12)
InChIKeyVYVDDFUXHKKQGU-UHFFFAOYSA-N
MW277.25 g/mol
LogP-0.18
Rot. Bonds6

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

3-[(5-methoxycarbonylfuran-2-yl)sulfonylamino]propanoic acid (PubChem CID 39733384) has the molecular formula C9H11NO7S and a molecular weight of 277.25 g/mol. Its IUPAC name is 3-[(5-methoxycarbonylfuran-2-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5-methoxycarbonylfuran-2-yl)sulfonylamino]propanoic acid
PubChem CID39733384
Molecular FormulaC9H11NO7S
Molecular Weight277.25 g/mol
Exact Mass277.03
IUPAC Name3-[(5-methoxycarbonylfuran-2-yl)sulfonylamino]propanoic acid
SMILESCOC(=O)c1ccc(S(=O)(=O)NCCC(=O)O)o1
InChIInChI=1S/C9H11NO7S/c1-16-9(13)6-2-3-8(17-6)18(14,15)10-5-4-7(11)12/h2-3,10H,4-5H2,1H3,(H,11,12)
InChIKeyVYVDDFUXHKKQGU-UHFFFAOYSA-N
XLogP-0.18
TPSA122.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-sulfamoylfuran-2-carboxylate
CID 3146896
5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid
CID 60926737
sodium 5-methoxycarbonylfuran-2-sulfonate
CID 87385701
methyl 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylate
CID 99802822
ethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride
CID 120717695
5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 106335110
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid
CID 104932979
3-[(3-methoxycarbonylphenyl)sulfonylamino]propanoic acid
CID 43093020
5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid
CID 29077453
methyl 5-[[(2S)-1-[(3-amino-3-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]sulfamoyl]furan-2-carboxylate
CID 96542219
methyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride
CID 120896340

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxycarbonylfuran-2-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(5-methoxycarbonylfuran-2-yl)sulfonylamino]propanoic acid (CID 39733384) is 3-[(5-methoxycarbonylfuran-2-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(5-methoxycarbonylfuran-2-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(5-methoxycarbonylfuran-2-yl)sulfonylamino]propanoic acid is COC(=O)c1ccc(S(=O)(=O)NCCC(=O)O)o1.
What is the InChIKey of 3-[(5-methoxycarbonylfuran-2-yl)sulfonylamino]propanoic acid?
The InChIKey is VYVDDFUXHKKQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO7S/c1-16-9(13)6-2-3-8(17-6)18(14,15)10-5-4-7(11)12/h2-3,10H,4-5H2,1H3,(H,11,12).
What are the key properties of 3-[(5-methoxycarbonylfuran-2-yl)sulfonylamino]propanoic acid?
3-[(5-methoxycarbonylfuran-2-yl)sulfonylamino]propanoic acid has a molecular weight of 277.25 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxycarbonylfuran-2-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 39733384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).