5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid

C11H14N2O4 — CID 106190673

IUPAC5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CNC1CNC(=O)C1
InChIInChI=1S/C11H14N2O4/c1-6-7(2-9(17-6)11(15)16)4-12-8-3-10(14)13-5-8/h2,8,12H,3-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyJAUAFBDNJHROAC-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.26
Rot. Bonds4

About 5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid

5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid (PubChem CID 106190673) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
PubChem CID106190673
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CNC1CNC(=O)C1
InChIInChI=1S/C11H14N2O4/c1-6-7(2-9(17-6)11(15)16)4-12-8-3-10(14)13-5-8/h2,8,12H,3-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyJAUAFBDNJHROAC-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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Related Compounds

4-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103255566
3-methyl-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 106190640
5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid
CID 103258417
4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one
CID 106183258
5-methyl-4-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 103245559
5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 103254265
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103260585
3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid
CID 106190644
4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one
CID 106184275
5-methyl-4-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-2-carboxylic acid
CID 103261996
4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 106137095
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 104665443

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid (CID 106190673) is 5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1CNC1CNC(=O)C1.
What is the InChIKey of 5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is JAUAFBDNJHROAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6-7(2-9(17-6)11(15)16)4-12-8-3-10(14)13-5-8/h2,8,12H,3-5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid?
5-methyl-4-[[(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 5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 106190673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).