5-(2-methoxyethyl)-1-[(5-oxopyrrolidin-2-yl)methyl]triazole-4-carboxylic acid

C11H16N4O4 — CID 107530783

IUPAC5-(2-methoxyethyl)-1-[(5-oxopyrrolidin-2-yl)methyl]triazole-4-carboxylic acid
SMILESCOCCc1c(C(=O)O)nnn1CC1CCC(=O)N1
InChIInChI=1S/C11H16N4O4/c1-19-5-4-8-10(11(17)18)13-14-15(8)6-7-2-3-9(16)12-7/h7H,2-6H2,1H3,(H,12,16)(H,17,18)
InChIKeyHWFFSDKXTJBDQB-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.56
Rot. Bonds6

About 5-(2-methoxyethyl)-1-[(5-oxopyrrolidin-2-yl)methyl]triazole-4-carboxylic acid

5-(2-methoxyethyl)-1-[(5-oxopyrrolidin-2-yl)methyl]triazole-4-carboxylic acid (PubChem CID 107530783) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-1-[(5-oxopyrrolidin-2-yl)methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyethyl)-1-[(5-oxopyrrolidin-2-yl)methyl]triazole-4-carboxylic acid
PubChem CID107530783
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name5-(2-methoxyethyl)-1-[(5-oxopyrrolidin-2-yl)methyl]triazole-4-carboxylic acid
SMILESCOCCc1c(C(=O)O)nnn1CC1CCC(=O)N1
InChIInChI=1S/C11H16N4O4/c1-19-5-4-8-10(11(17)18)13-14-15(8)6-7-2-3-9(16)12-7/h7H,2-6H2,1H3,(H,12,16)(H,17,18)
InChIKeyHWFFSDKXTJBDQB-UHFFFAOYSA-N
XLogP-0.56
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(cyclopentylmethyl)-5-(2-methoxyethyl)triazole-4-carboxylic acid
CID 102645888
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-5-(2-methoxyethyl)triazole-4-carboxylic acid
CID 102645932
5-(2-methoxyethyl)-1-pentan-3-yltriazole-4-carboxylic acid
CID 102646007
1-[2-(diethylamino)-2-oxoethyl]-5-(2-methoxyethyl)triazole-4-carboxylic acid
CID 102646012
1-(3,4-dimethylcyclohexyl)-5-(2-methoxyethyl)triazole-4-carboxylic acid
CID 102646076
1-(cyclobutylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643357
prop-2-enyl 5-methyl-1-[(5-oxopyrrolidin-2-yl)methyl]triazole-4-carboxylate
CID 107530798
ethyl 1-[(5-oxopyrrolidin-2-yl)methyl]-5-propan-2-yltriazole-4-carboxylate
CID 107530787
5-(2-methoxyethyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid
CID 102645968
5-(2-methoxyethyl)-1-[4-(methylamino)-4-oxobutyl]triazole-4-carboxylic acid
CID 102645788
5-(2-methoxyethyl)-1-[(6-methoxy-2-pyridinyl)methyl]triazole-4-carboxylic acid
CID 102645892
5-(2-methoxyethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]triazole-4-carboxylic acid
CID 102645880

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-1-[(5-oxopyrrolidin-2-yl)methyl]triazole-4-carboxylic acid?
The IUPAC name of 5-(2-methoxyethyl)-1-[(5-oxopyrrolidin-2-yl)methyl]triazole-4-carboxylic acid (CID 107530783) is 5-(2-methoxyethyl)-1-[(5-oxopyrrolidin-2-yl)methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyethyl)-1-[(5-oxopyrrolidin-2-yl)methyl]triazole-4-carboxylic acid?
The canonical SMILES for 5-(2-methoxyethyl)-1-[(5-oxopyrrolidin-2-yl)methyl]triazole-4-carboxylic acid is COCCc1c(C(=O)O)nnn1CC1CCC(=O)N1.
What is the InChIKey of 5-(2-methoxyethyl)-1-[(5-oxopyrrolidin-2-yl)methyl]triazole-4-carboxylic acid?
The InChIKey is HWFFSDKXTJBDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-19-5-4-8-10(11(17)18)13-14-15(8)6-7-2-3-9(16)12-7/h7H,2-6H2,1H3,(H,12,16)(H,17,18).
What are the key properties of 5-(2-methoxyethyl)-1-[(5-oxopyrrolidin-2-yl)methyl]triazole-4-carboxylic acid?
5-(2-methoxyethyl)-1-[(5-oxopyrrolidin-2-yl)methyl]triazole-4-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-1-[(5-oxopyrrolidin-2-yl)methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 107530783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).