3-methyl-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid

C11H14N2O4 — CID 106190640

IUPAC3-methyl-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
SMILESCc1cc(CNC2CNC(=O)C2)oc1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-6-2-8(17-10(6)11(15)16)5-12-7-3-9(14)13-4-7/h2,7,12H,3-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyGBVULWYOYAVKIW-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.26
Rot. Bonds4

About 3-methyl-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid

3-methyl-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid (PubChem CID 106190640) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-methyl-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
PubChem CID106190640
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-methyl-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
SMILESCc1cc(CNC2CNC(=O)C2)oc1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-6-2-8(17-10(6)11(15)16)5-12-7-3-9(14)13-4-7/h2,7,12H,3-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyGBVULWYOYAVKIW-UHFFFAOYSA-N
XLogP0.26
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid (CID 106190640) is 3-methyl-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid is Cc1cc(CNC2CNC(=O)C2)oc1C(=O)O.
What is the InChIKey of 3-methyl-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is GBVULWYOYAVKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6-2-8(17-10(6)11(15)16)5-12-7-3-9(14)13-4-7/h2,7,12H,3-5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-methyl-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid?
3-methyl-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 106190640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).