2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxylic acid

C11H15NO4 — CID 586928

IUPAC2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxylic acid
SMILESCc1oc(CN2CCOCC2)cc1C(=O)O
InChIInChI=1S/C11H15NO4/c1-8-10(11(13)14)6-9(16-8)7-12-2-4-15-5-3-12/h6H,2-5,7H2,1H3,(H,13,14)
InChIKeyPKBZNPNFTAYUHE-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.12
Rot. Bonds3

About 2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxylic acid

2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxylic acid (PubChem CID 586928) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxylic acid
PubChem CID586928
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxylic acid
SMILESCc1oc(CN2CCOCC2)cc1C(=O)O
InChIInChI=1S/C11H15NO4/c1-8-10(11(13)14)6-9(16-8)7-12-2-4-15-5-3-12/h6H,2-5,7H2,1H3,(H,13,14)
InChIKeyPKBZNPNFTAYUHE-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 2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxylic acid (CID 586928) is 2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxylic acid is Cc1oc(CN2CCOCC2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxylic acid?
The InChIKey is PKBZNPNFTAYUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-8-10(11(13)14)6-9(16-8)7-12-2-4-15-5-3-12/h6H,2-5,7H2,1H3,(H,13,14).
What are the key properties of 2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxylic acid?
2-methyl-5-(morpholin-4-ylmethyl)furan-3-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 2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxylic acid is sourced from PubChem (CID 586928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).