2-(methoxymethyl)-1-[2-(methylamino)-2-oxoethyl]pyrrole-3-carboxylic acid

C10H14N2O4 — CID 84756136

IUPAC2-(methoxymethyl)-1-[2-(methylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
SMILESCNC(=O)Cn1ccc(C(=O)O)c1COC
InChIInChI=1S/C10H14N2O4/c1-11-9(13)5-12-4-3-7(10(14)15)8(12)6-16-2/h3-4H,5-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyLOCRMHDEDBQRLB-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.08
Rot. Bonds5

About 2-(methoxymethyl)-1-[2-(methylamino)-2-oxoethyl]pyrrole-3-carboxylic acid

2-(methoxymethyl)-1-[2-(methylamino)-2-oxoethyl]pyrrole-3-carboxylic acid (PubChem CID 84756136) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-[2-(methylamino)-2-oxoethyl]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-1-[2-(methylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
PubChem CID84756136
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-(methoxymethyl)-1-[2-(methylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
SMILESCNC(=O)Cn1ccc(C(=O)O)c1COC
InChIInChI=1S/C10H14N2O4/c1-11-9(13)5-12-4-3-7(10(14)15)8(12)6-16-2/h3-4H,5-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyLOCRMHDEDBQRLB-UHFFFAOYSA-N
XLogP0.08
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-[2-(methylamino)-2-oxoethyl]pyrrole-3-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-1-[2-(methylamino)-2-oxoethyl]pyrrole-3-carboxylic acid (CID 84756136) is 2-(methoxymethyl)-1-[2-(methylamino)-2-oxoethyl]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-1-[2-(methylamino)-2-oxoethyl]pyrrole-3-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-1-[2-(methylamino)-2-oxoethyl]pyrrole-3-carboxylic acid is CNC(=O)Cn1ccc(C(=O)O)c1COC.
What is the InChIKey of 2-(methoxymethyl)-1-[2-(methylamino)-2-oxoethyl]pyrrole-3-carboxylic acid?
The InChIKey is LOCRMHDEDBQRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-11-9(13)5-12-4-3-7(10(14)15)8(12)6-16-2/h3-4H,5-6H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-(methoxymethyl)-1-[2-(methylamino)-2-oxoethyl]pyrrole-3-carboxylic acid?
2-(methoxymethyl)-1-[2-(methylamino)-2-oxoethyl]pyrrole-3-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-[2-(methylamino)-2-oxoethyl]pyrrole-3-carboxylic acid is sourced from PubChem (CID 84756136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).