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

C11H13NO5 — CID 79468797

IUPAC5-methyl-4-[(3-oxomorpholin-4-yl)methyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CN1CCOCC1=O
InChIInChI=1S/C11H13NO5/c1-7-8(4-9(17-7)11(14)15)5-12-2-3-16-6-10(12)13/h4H,2-3,5-6H2,1H3,(H,14,15)
InChIKeyFUHQADXKBYBBBL-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.65
Rot. Bonds3

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

5-methyl-4-[(3-oxomorpholin-4-yl)methyl]furan-2-carboxylic acid (PubChem CID 79468797) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-methyl-4-[(3-oxomorpholin-4-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(3-oxomorpholin-4-yl)methyl]furan-2-carboxylic acid
PubChem CID79468797
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name5-methyl-4-[(3-oxomorpholin-4-yl)methyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CN1CCOCC1=O
InChIInChI=1S/C11H13NO5/c1-7-8(4-9(17-7)11(14)15)5-12-2-3-16-6-10(12)13/h4H,2-3,5-6H2,1H3,(H,14,15)
InChIKeyFUHQADXKBYBBBL-UHFFFAOYSA-N
XLogP0.65
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 79936676
5-amino-2-[(3-oxomorpholin-4-yl)methyl]benzoic acid
CID 174506668
4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63577829
5-methyl-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]furan-2-carboxylic acid
CID 62273798
3-[5-fluoro-2-[(3-oxomorpholin-4-yl)methyl]phenyl]prop-2-enoic acid
CID 79468265
5-[(3-oxomorpholin-4-yl)methyl]furan-2-carbohydrazide
CID 79468557
2-amino-5-[(3-oxomorpholin-4-yl)methyl]benzoic acid
CID 174520823
4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]-5-methylfuran-2-carboxylic acid
CID 66076326
5-methyl-4-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 106318975
5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid
CID 62273109
4-[(4-amino-2-chlorophenyl)methyl]morpholin-3-one
CID 79469209
4-[(4-amino-2-bromophenyl)methyl]morpholin-3-one
CID 79469480

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-oxomorpholin-4-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(3-oxomorpholin-4-yl)methyl]furan-2-carboxylic acid (CID 79468797) is 5-methyl-4-[(3-oxomorpholin-4-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(3-oxomorpholin-4-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(3-oxomorpholin-4-yl)methyl]furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1CN1CCOCC1=O.
What is the InChIKey of 5-methyl-4-[(3-oxomorpholin-4-yl)methyl]furan-2-carboxylic acid?
The InChIKey is FUHQADXKBYBBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-7-8(4-9(17-7)11(14)15)5-12-2-3-16-6-10(12)13/h4H,2-3,5-6H2,1H3,(H,14,15).
What are the key properties of 5-methyl-4-[(3-oxomorpholin-4-yl)methyl]furan-2-carboxylic acid?
5-methyl-4-[(3-oxomorpholin-4-yl)methyl]furan-2-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3-oxomorpholin-4-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 79468797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).