5-methyl-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid

C13H18N2O4 — CID 62274666

IUPAC5-methyl-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
SMILESCNC(=O)C1CCCN1Cc1cc(C(=O)O)oc1C
InChIInChI=1S/C13H18N2O4/c1-8-9(6-11(19-8)13(17)18)7-15-5-3-4-10(15)12(16)14-2/h6,10H,3-5,7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyXRXGCVUMSZXBDM-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.00
Rot. Bonds4

About 5-methyl-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid

5-methyl-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid (PubChem CID 62274666) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-methyl-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
PubChem CID62274666
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-methyl-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
SMILESCNC(=O)C1CCCN1Cc1cc(C(=O)O)oc1C
InChIInChI=1S/C13H18N2O4/c1-8-9(6-11(19-8)13(17)18)7-15-5-3-4-10(15)12(16)14-2/h6,10H,3-5,7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyXRXGCVUMSZXBDM-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]-N-methylpiperidine-2-carboxamide
CID 63585489
1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide
CID 63569410
4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 55076314
1-[(2-tert-butyl-5-carbamoylfuran-3-yl)methyl]-N-methylpiperidine-2-carboxamide
CID 91837890
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985657
1-[(2-amino-4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 64770558
1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985708
4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 62273123
1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985656
1-[(5-bromo-2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115903842

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid (CID 62274666) is 5-methyl-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid is CNC(=O)C1CCCN1Cc1cc(C(=O)O)oc1C.
What is the InChIKey of 5-methyl-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid?
The InChIKey is XRXGCVUMSZXBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-9(6-11(19-8)13(17)18)7-15-5-3-4-10(15)12(16)14-2/h6,10H,3-5,7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 5-methyl-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid?
5-methyl-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 62274666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).