5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid

C12H16N2O5 — CID 113432368

IUPAC5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid
SMILESCN1CCOC(CNC(=O)c2cc(C(=O)O)co2)C1
InChIInChI=1S/C12H16N2O5/c1-14-2-3-18-9(6-14)5-13-11(15)10-4-8(7-19-10)12(16)17/h4,7,9H,2-3,5-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyOEKLUDFYUJLJBB-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.04
Rot. Bonds4

About 5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid

5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid (PubChem CID 113432368) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid
PubChem CID113432368
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid
SMILESCN1CCOC(CNC(=O)c2cc(C(=O)O)co2)C1
InChIInChI=1S/C12H16N2O5/c1-14-2-3-18-9(6-14)5-13-11(15)10-4-8(7-19-10)12(16)17/h4,7,9H,2-3,5-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyOEKLUDFYUJLJBB-UHFFFAOYSA-N
XLogP0.04
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 113432530
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094765
3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79082923
5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 49094737
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79078520
4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide
CID 107031927
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid (CID 113432368) is 5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid is CN1CCOC(CNC(=O)c2cc(C(=O)O)co2)C1.
What is the InChIKey of 5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is OEKLUDFYUJLJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-14-2-3-18-9(6-14)5-13-11(15)10-4-8(7-19-10)12(16)17/h4,7,9H,2-3,5-6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid?
5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 113432368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).