2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid

C11H13NO4 — CID 43477289

IUPAC2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid
SMILESCc1oc(CN2CCCC2=O)cc1C(=O)O
InChIInChI=1S/C11H13NO4/c1-7-9(11(14)15)5-8(16-7)6-12-4-2-3-10(12)13/h5H,2-4,6H2,1H3,(H,14,15)
InChIKeyJICVIWLEOUJISI-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.41
Rot. Bonds3

About 2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid

2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid (PubChem CID 43477289) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid
PubChem CID43477289
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid
SMILESCc1oc(CN2CCCC2=O)cc1C(=O)O
InChIInChI=1S/C11H13NO4/c1-7-9(11(14)15)5-8(16-7)6-12-4-2-3-10(12)13/h5H,2-4,6H2,1H3,(H,14,15)
InChIKeyJICVIWLEOUJISI-UHFFFAOYSA-N
XLogP1.41
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 43477336
2-methyl-5-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]furan-3-carboxylic acid
CID 79936785
2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid
CID 61023796
5-(azepan-1-ylmethyl)-2-methylfuran-3-carboxylic acid
CID 43477377
5-[(2,5-dioxopyrrol-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 54907820
2-methyl-5-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-3-carboxylic acid
CID 62937681
2-methyl-5-[(3-oxo-1H-isoindol-2-yl)methyl]furan-3-carboxylic acid
CID 43625930
5-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 22108050
2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid
CID 62961234
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
CID 43586208
5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 103356685
2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid
CID 844972

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid (CID 43477289) is 2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid is Cc1oc(CN2CCCC2=O)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid?
The InChIKey is JICVIWLEOUJISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7-9(11(14)15)5-8(16-7)6-12-4-2-3-10(12)13/h5H,2-4,6H2,1H3,(H,14,15).
What are the key properties of 2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid?
2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 43477289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).