1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid

C12H17N3O4 — CID 66117272

IUPAC1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCCN1C(=O)CC(C(=O)O)C1c1cncn1C
InChIInChI=1S/C12H17N3O4/c1-14-7-13-6-9(14)11-8(12(17)18)5-10(16)15(11)3-4-19-2/h6-8,11H,3-5H2,1-2H3,(H,17,18)
InChIKeyJMESTPRNUGLAAP-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.04
Rot. Bonds5

About 1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 66117272) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID66117272
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCCN1C(=O)CC(C(=O)O)C1c1cncn1C
InChIInChI=1S/C12H17N3O4/c1-14-7-13-6-9(14)11-8(12(17)18)5-10(16)15(11)3-4-19-2/h6-8,11H,3-5H2,1-2H3,(H,17,18)
InChIKeyJMESTPRNUGLAAP-UHFFFAOYSA-N
XLogP0.04
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-Ethyl-5-oxooxolan-3-yl)methyl]-3-methylimidazol-1-ium-1-yl]ethyl acetate bromide
CID 90678973
8-[(1-isobutyl-1H-imidazol-5-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72864532
3-Ethyl-4-[[1-(2-hydroxyethyl)-3-methylimidazol-1-ium-4-yl]methyl]oxolan-2-one
CID 90678970
3-Ethyl-4-[[1-(3-hydroxypropyl)-3-methylimidazol-1-ium-4-yl]methyl]oxolan-2-one
CID 90678972
2-[4-[(4-Ethyl-5-oxooxolan-3-yl)methyl]-3-methylimidazol-1-ium-1-yl]ethyl acetate
CID 90678974
3-O-methyl 1-O-(2,2,2-trifluoroethyl) (3S,4S)-4-(3-methylimidazol-4-yl)pyrrolidine-1,3-dicarboxylate
CID 136589370
rac-(3R,4R)-4-(1-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid
CID 165922367
rac-(3R,4R)-4-(1-methyl-1H-imidazol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid
CID 165940295
(3R,4R)-3-ethyl-1-(2-hydroxyhexyl)-4-[(3-methylimidazol-4-yl)methyl]-2-oxopyrrolidin-1-ium-1-carboxylic acid
CID 57291209
(3R,4R)-3-ethyl-3-(1-methoxy-1-oxohexan-2-yl)-4-[(3-methylimidazol-4-yl)methyl]-2-oxopyrrolidine-1-carboxylic acid
CID 67941269
3-Ethyl-1-(2-hydroxyhexyl)-4-[(3-methylimidazol-4-yl)methyl]-2-oxopyrrolidine-3-carboxylic acid
CID 67941275
(4S)-4-[2-[[(1S)-3-methoxy-1-[1-(3-methylbutyl)imidazol-4-yl]-3-oxopropyl]amino]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 69745022

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 66117272) is 1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid is COCCN1C(=O)CC(C(=O)O)C1c1cncn1C.
What is the InChIKey of 1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is JMESTPRNUGLAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-14-7-13-6-9(14)11-8(12(17)18)5-10(16)15(11)3-4-19-2/h6-8,11H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 66117272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).