4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid

C10H16N4O2 — CID 107044940

IUPAC4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(Cc2cn(C)nn2)CC1C(=O)O
InChIInChI=1S/C10H16N4O2/c1-7-3-14(6-9(7)10(15)16)5-8-4-13(2)12-11-8/h4,7,9H,3,5-6H2,1-2H3,(H,15,16)
InChIKeyQPGBPGAWYYQVFE-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.03
Rot. Bonds3

About 4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 107044940) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID107044940
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(Cc2cn(C)nn2)CC1C(=O)O
InChIInChI=1S/C10H16N4O2/c1-7-3-14(6-9(7)10(15)16)5-8-4-13(2)12-11-8/h4,7,9H,3,5-6H2,1-2H3,(H,15,16)
InChIKeyQPGBPGAWYYQVFE-UHFFFAOYSA-N
XLogP-0.03
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63722146
4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole
CID 131101712
7-[(1-methyltriazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 107044968
2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107058978
(3S,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98534340
4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 103004815
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721961
(3S)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885719
(3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885940
4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64783458
4-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63720352
1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 107043962

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid (CID 107044940) is 4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid is CC1CN(Cc2cn(C)nn2)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is QPGBPGAWYYQVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-3-14(6-9(7)10(15)16)5-8-4-13(2)12-11-8/h4,7,9H,3,5-6H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107044940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).