5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxylic acid

C11H15NO4 — CID 586899

IUPAC5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CN1CCOCC1
InChIInChI=1S/C11H15NO4/c1-8-9(6-10(16-8)11(13)14)7-12-2-4-15-5-3-12/h6H,2-5,7H2,1H3,(H,13,14)
InChIKeyRYGQPTJGYVABKT-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.12
Rot. Bonds3

About 5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxylic acid

5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxylic acid (PubChem CID 586899) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxylic acid
PubChem CID586899
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CN1CCOCC1
InChIInChI=1S/C11H15NO4/c1-8-9(6-10(16-8)11(13)14)7-12-2-4-15-5-3-12/h6H,2-5,7H2,1H3,(H,13,14)
InChIKeyRYGQPTJGYVABKT-UHFFFAOYSA-N
XLogP1.12
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxylic acid (CID 586899) is 5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1CN1CCOCC1.
What is the InChIKey of 5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxylic acid?
The InChIKey is RYGQPTJGYVABKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-8-9(6-10(16-8)11(13)14)7-12-2-4-15-5-3-12/h6H,2-5,7H2,1H3,(H,13,14).
What are the key properties of 5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxylic acid?
5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxylic acid is sourced from PubChem (CID 586899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).