1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid

C9H12N4O3 — CID 107043962

IUPAC1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCn1cc(CN2C(=O)CCC2C(=O)O)nn1
InChIInChI=1S/C9H12N4O3/c1-12-4-6(10-11-12)5-13-7(9(15)16)2-3-8(13)14/h4,7H,2-3,5H2,1H3,(H,15,16)
InChIKeyKTFZPGOGMUGDCE-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.61
Rot. Bonds3

About 1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid

1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 107043962) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID107043962
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCn1cc(CN2C(=O)CCC2C(=O)O)nn1
InChIInChI=1S/C9H12N4O3/c1-12-4-6(10-11-12)5-13-7(9(15)16)2-3-8(13)14/h4,7H,2-3,5H2,1H3,(H,15,16)
InChIKeyKTFZPGOGMUGDCE-UHFFFAOYSA-N
XLogP-0.61
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-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

Related Compounds

(2S)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid
CID 10560862
5-oxo-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 114076043
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid
CID 113288923
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002576
(2S)-1-[[4-(dimethylamino)phenyl]methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 42127400
(2S)-1-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 10823634
4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107044940
1-heptyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002593
1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354763
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid
CID 112590083
7-[(1-methyltriazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 107044968

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid (CID 107043962) is 1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid is Cn1cc(CN2C(=O)CCC2C(=O)O)nn1.
What is the InChIKey of 1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is KTFZPGOGMUGDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-12-4-6(10-11-12)5-13-7(9(15)16)2-3-8(13)14/h4,7H,2-3,5H2,1H3,(H,15,16).
What are the key properties of 1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107043962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).