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

C12H17N5O4 — CID 66289328

IUPAC1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid
SMILESCN(CC(=O)N1CCCC1)C(=O)Cn1cc(C(=O)O)nn1
InChIInChI=1S/C12H17N5O4/c1-15(7-11(19)16-4-2-3-5-16)10(18)8-17-6-9(12(20)21)13-14-17/h6H,2-5,7-8H2,1H3,(H,20,21)
InChIKeyPVLDGABMLDNRKN-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.94
Rot. Bonds5

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

1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid (PubChem CID 66289328) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid
PubChem CID66289328
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC Name1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid
SMILESCN(CC(=O)N1CCCC1)C(=O)Cn1cc(C(=O)O)nn1
InChIInChI=1S/C12H17N5O4/c1-15(7-11(19)16-4-2-3-5-16)10(18)8-17-6-9(12(20)21)13-14-17/h6H,2-5,7-8H2,1H3,(H,20,21)
InChIKeyPVLDGABMLDNRKN-UHFFFAOYSA-N
XLogP-0.94
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid (CID 66289328) is 1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid is CN(CC(=O)N1CCCC1)C(=O)Cn1cc(C(=O)O)nn1.
What is the InChIKey of 1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid?
The InChIKey is PVLDGABMLDNRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4/c1-15(7-11(19)16-4-2-3-5-16)10(18)8-17-6-9(12(20)21)13-14-17/h6H,2-5,7-8H2,1H3,(H,20,21).
What are the key properties of 1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid?
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of -0.94, 5 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]-2-oxoethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 66289328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).