5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid

C12H14N2O5 — CID 113432528

IUPAC5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid
SMILESCN1C(=O)CCC(NCc2cc(C(=O)O)co2)C1=O
InChIInChI=1S/C12H14N2O5/c1-14-10(15)3-2-9(11(14)16)13-5-8-4-7(6-19-8)12(17)18/h4,6,9,13H,2-3,5H2,1H3,(H,17,18)
InChIKeyJXJAVLSXISNWHD-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.21
Rot. Bonds4

About 5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid

5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid (PubChem CID 113432528) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid
PubChem CID113432528
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid
SMILESCN1C(=O)CCC(NCc2cc(C(=O)O)co2)C1=O
InChIInChI=1S/C12H14N2O5/c1-14-10(15)3-2-9(11(14)16)13-5-8-4-7(6-19-8)12(17)18/h4,6,9,13H,2-3,5H2,1H3,(H,17,18)
InChIKeyJXJAVLSXISNWHD-UHFFFAOYSA-N
XLogP0.21
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid (CID 113432528) is 5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid is CN1C(=O)CCC(NCc2cc(C(=O)O)co2)C1=O.
What is the InChIKey of 5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is JXJAVLSXISNWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-14-10(15)3-2-9(11(14)16)13-5-8-4-7(6-19-8)12(17)18/h4,6,9,13H,2-3,5H2,1H3,(H,17,18).
What are the key properties of 5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid?
5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 266.25 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 113432528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).