5-[(3,5-dioxomorpholin-4-yl)methyl]furan-2-carboxylic acid

C10H9NO6 — CID 61313696

IUPAC5-[(3,5-dioxomorpholin-4-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2C(=O)COCC2=O)o1
InChIInChI=1S/C10H9NO6/c12-8-4-16-5-9(13)11(8)3-6-1-2-7(17-6)10(14)15/h1-2H,3-5H2,(H,14,15)
InChIKeyYQVCIPFWGAVXBP-UHFFFAOYSA-N
MW239.18 g/mol
LogP-0.14
Rot. Bonds3

About 5-[(3,5-dioxomorpholin-4-yl)methyl]furan-2-carboxylic acid

5-[(3,5-dioxomorpholin-4-yl)methyl]furan-2-carboxylic acid (PubChem CID 61313696) has the molecular formula C10H9NO6 and a molecular weight of 239.18 g/mol. Its IUPAC name is 5-[(3,5-dioxomorpholin-4-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dioxomorpholin-4-yl)methyl]furan-2-carboxylic acid
PubChem CID61313696
Molecular FormulaC10H9NO6
Molecular Weight239.18 g/mol
Exact Mass239.04
IUPAC Name5-[(3,5-dioxomorpholin-4-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2C(=O)COCC2=O)o1
InChIInChI=1S/C10H9NO6/c12-8-4-16-5-9(13)11(8)3-6-1-2-7(17-6)10(14)15/h1-2H,3-5H2,(H,14,15)
InChIKeyYQVCIPFWGAVXBP-UHFFFAOYSA-N
XLogP-0.14
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-[(3-oxomorpholin-4-yl)methyl]furan-2-carbohydrazide
CID 79468557
5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
5-[(2-oxo-1,3-thiazolidin-3-yl)methyl]furan-2-carboxylic acid
CID 43649080
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid
CID 43581655
5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid
CID 42233591
5-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carboxylic acid
CID 16793688
5-[(2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid;hydrochloride
CID 171134030
5-(fluoromethyl)furan-2-carboxylic acid
CID 18507676
2-amino-5-[(3-oxomorpholin-4-yl)methyl]benzoic acid
CID 174520823
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
5-[(6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid
CID 62851184

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dioxomorpholin-4-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3,5-dioxomorpholin-4-yl)methyl]furan-2-carboxylic acid (CID 61313696) is 5-[(3,5-dioxomorpholin-4-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dioxomorpholin-4-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3,5-dioxomorpholin-4-yl)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CN2C(=O)COCC2=O)o1.
What is the InChIKey of 5-[(3,5-dioxomorpholin-4-yl)methyl]furan-2-carboxylic acid?
The InChIKey is YQVCIPFWGAVXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO6/c12-8-4-16-5-9(13)11(8)3-6-1-2-7(17-6)10(14)15/h1-2H,3-5H2,(H,14,15).
What are the key properties of 5-[(3,5-dioxomorpholin-4-yl)methyl]furan-2-carboxylic acid?
5-[(3,5-dioxomorpholin-4-yl)methyl]furan-2-carboxylic acid has a molecular weight of 239.18 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dioxomorpholin-4-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 61313696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).