1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid

C14H20N2O4 — CID 102775450

IUPAC1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCOCCn1cccc1C(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-10-5-7-16(12(10)14(18)19)13(17)11-4-3-6-15(11)8-9-20-2/h3-4,6,10,12H,5,7-9H2,1-2H3,(H,18,19)
InChIKeyPCKQWBWUKSGZJF-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.07
Rot. Bonds5

About 1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid

1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102775450) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102775450
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCOCCn1cccc1C(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-10-5-7-16(12(10)14(18)19)13(17)11-4-3-6-15(11)8-9-20-2/h3-4,6,10,12H,5,7-9H2,1-2H3,(H,18,19)
InChIKeyPCKQWBWUKSGZJF-UHFFFAOYSA-N
XLogP1.07
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-2-methylpiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610606
[2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610328
(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610014
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
[4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610444
N-[1-(hydroxymethyl)cyclopropyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609814
4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one
CID 114609871
1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781990
[2-(hydroxymethyl)morpholin-4-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114609732
(2S)-1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 66264545
N-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114610479
1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 43639021

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102775450) is 1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid is COCCn1cccc1C(=O)N1CCC(C)C1C(=O)O.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is PCKQWBWUKSGZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-5-7-16(12(10)14(18)19)13(17)11-4-3-6-15(11)8-9-20-2/h3-4,6,10,12H,5,7-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102775450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).