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

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Related Compounds

1-[2-(azepan-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059933
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid
CID 61442683
1-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66288911
1-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66288929
1-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66290988
1-[2-oxo-2-(1,4-thiazepan-4-yl)ethyl]triazole-4-carboxylic acid
CID 66288078
1-[2-[methyl(3-methylbutan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289111
N-[[4-(dimethylamino)phenyl]methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
CID 47078545
1-[2-[4-(methylcarbamoyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289534
2-[4-(azepane-1-carbonyl)triazol-1-yl]acetic acid
CID 66288731
1-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 66290172
N,N-dimethyl-2-[4-(4-methylazepane-1-carbonyl)triazol-1-yl]acetamide
CID 86863777

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).