5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid

C13H18N2O4 — CID 106318966

IUPAC5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
SMILESCNC(=O)C1(C)CCN(Cc2cc(C(=O)O)co2)C1
InChIInChI=1S/C13H18N2O4/c1-13(12(18)14-2)3-4-15(8-13)6-10-5-9(7-19-10)11(16)17/h5,7H,3-4,6,8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyHCSCEQRKRGHCIF-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.94
Rot. Bonds4

About 5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid

5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid (PubChem CID 106318966) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
PubChem CID106318966
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
SMILESCNC(=O)C1(C)CCN(Cc2cc(C(=O)O)co2)C1
InChIInChI=1S/C13H18N2O4/c1-13(12(18)14-2)3-4-15(8-13)6-10-5-9(7-19-10)11(16)17/h5,7H,3-4,6,8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyHCSCEQRKRGHCIF-UHFFFAOYSA-N
XLogP0.94
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 106318978
5-methyl-4-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 106318975
5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
CID 62267284
2-fluoro-4-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 106318976
1-[[3-(aminomethyl)-5-fluorophenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317892
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322065
1-methyl-5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]pyrazole-4-carboxylic acid
CID 106318950
5-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-carboxylic acid
CID 62269405
1-[(3-bromo-4-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150971
N,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide
CID 106318104
1-[(2-bromo-5-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151916
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321611

Frequently Asked Questions

What is the IUPAC name of 5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid (CID 106318966) is 5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid is CNC(=O)C1(C)CCN(Cc2cc(C(=O)O)co2)C1.
What is the InChIKey of 5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid?
The InChIKey is HCSCEQRKRGHCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(12(18)14-2)3-4-15(8-13)6-10-5-9(7-19-10)11(16)17/h5,7H,3-4,6,8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid?
5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 106318966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).