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

C10H13NO4 — CID 580530

IUPAC5-(morpholin-4-ylmethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCOCC2)o1
InChIInChI=1S/C10H13NO4/c12-10(13)9-2-1-8(15-9)7-11-3-5-14-6-4-11/h1-2H,3-7H2,(H,12,13)
InChIKeyNTMWPNLDMTVPBO-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.81
Rot. Bonds3

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

5-(morpholin-4-ylmethyl)furan-2-carboxylic acid (PubChem CID 580530) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)furan-2-carboxylic acid
PubChem CID580530
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name5-(morpholin-4-ylmethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCOCC2)o1
InChIInChI=1S/C10H13NO4/c12-10(13)9-2-1-8(15-9)7-11-3-5-14-6-4-11/h1-2H,3-7H2,(H,12,13)
InChIKeyNTMWPNLDMTVPBO-UHFFFAOYSA-N
XLogP0.81
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(morpholin-4-ylmethyl)furan-2-carboxylic acid (CID 580530) is 5-(morpholin-4-ylmethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(morpholin-4-ylmethyl)furan-2-carboxylic acid is O=C(O)c1ccc(CN2CCOCC2)o1.
What is the InChIKey of 5-(morpholin-4-ylmethyl)furan-2-carboxylic acid?
The InChIKey is NTMWPNLDMTVPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-10(13)9-2-1-8(15-9)7-11-3-5-14-6-4-11/h1-2H,3-7H2,(H,12,13).
What are the key properties of 5-(morpholin-4-ylmethyl)furan-2-carboxylic acid?
5-(morpholin-4-ylmethyl)furan-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)furan-2-carboxylic acid is sourced from PubChem (CID 580530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).