5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid

C12H16N2O4 — CID 103254265

IUPAC5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CNCC1CCC(=O)N1
InChIInChI=1S/C12H16N2O4/c1-7-8(4-10(18-7)12(16)17)5-13-6-9-2-3-11(15)14-9/h4,9,13H,2-3,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyGLOZGSFJOWBFLI-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.65
Rot. Bonds5

About 5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid

5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid (PubChem CID 103254265) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid
PubChem CID103254265
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CNCC1CCC(=O)N1
InChIInChI=1S/C12H16N2O4/c1-7-8(4-10(18-7)12(16)17)5-13-6-9-2-3-11(15)14-9/h4,9,13H,2-3,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyGLOZGSFJOWBFLI-UHFFFAOYSA-N
XLogP0.65
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 106137095
2-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103254255
4-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103255566
4-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 103240565
5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 106190673
5-[(1,3-benzodioxol-5-ylmethylamino)methyl]pyrrolidin-2-one
CID 60727716
4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 114106528
5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one
CID 60727360
5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one
CID 60727440
5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrrolidin-2-one
CID 107529325
5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one
CID 115524016
4-[(6-hydroxyhexylamino)methyl]-5-methylfuran-2-carboxylic acid
CID 107853711

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid (CID 103254265) is 5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1CNCC1CCC(=O)N1.
What is the InChIKey of 5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid?
The InChIKey is GLOZGSFJOWBFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7-8(4-10(18-7)12(16)17)5-13-6-9-2-3-11(15)14-9/h4,9,13H,2-3,5-6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid?
5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103254265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).