1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid

C12H19N5O3 — CID 61442683

IUPAC1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid
SMILESCN(CCn1cc(C(=O)O)nn1)CC(=O)N1CCCC1
InChIInChI=1S/C12H19N5O3/c1-15(9-11(18)16-4-2-3-5-16)6-7-17-8-10(12(19)20)13-14-17/h8H,2-7,9H2,1H3,(H,19,20)
InChIKeyYDIFTICMYAIUSF-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.47
Rot. Bonds6

About 1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid

1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid (PubChem CID 61442683) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid
PubChem CID61442683
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid
SMILESCN(CCn1cc(C(=O)O)nn1)CC(=O)N1CCCC1
InChIInChI=1S/C12H19N5O3/c1-15(9-11(18)16-4-2-3-5-16)6-7-17-8-10(12(19)20)13-14-17/h8H,2-7,9H2,1H3,(H,19,20)
InChIKeyYDIFTICMYAIUSF-UHFFFAOYSA-N
XLogP-0.47
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289328
1-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]triazole-4-carboxylic acid
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1-[2-(azepan-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
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1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid
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1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazole-4-carboxylic acid
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1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]triazole-4-carboxylic acid
CID 114950235
1-(2-fluoroethyl)triazole-4-carboxylic acid
CID 79006648
1-[2-(4-hydroxy-N-methylanilino)ethyl]triazole-4-carboxylic acid
CID 62254735
3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 55028667
1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid
CID 61418872
N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide
CID 42362609
1-[2-[2-[ethyl(methyl)amino]ethylamino]ethyl]triazole-4-carboxylic acid
CID 103249170

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid (CID 61442683) is 1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid is CN(CCn1cc(C(=O)O)nn1)CC(=O)N1CCCC1.
What is the InChIKey of 1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is YDIFTICMYAIUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-15(9-11(18)16-4-2-3-5-16)6-7-17-8-10(12(19)20)13-14-17/h8H,2-7,9H2,1H3,(H,19,20).
What are the key properties of 1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid?
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 281.32 g/mol, XLogP of -0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 61442683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).