2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid

C11H17N5O3 — CID 113314016

IUPAC2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESCC1CCCN1C(=O)NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C11H17N5O3/c1-8-3-2-4-16(8)11(19)12-5-9-6-15(14-13-9)7-10(17)18/h6,8H,2-5,7H2,1H3,(H,12,19)(H,17,18)
InChIKeyVIUGZFCPWSSNQY-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.06
Rot. Bonds4

About 2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid

2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid (PubChem CID 113314016) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid
PubChem CID113314016
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESCC1CCCN1C(=O)NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C11H17N5O3/c1-8-3-2-4-16(8)11(19)12-5-9-6-15(14-13-9)7-10(17)18/h6,8H,2-5,7H2,1H3,(H,12,19)(H,17,18)
InChIKeyVIUGZFCPWSSNQY-UHFFFAOYSA-N
XLogP0.06
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic 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

2-[4-[[(3-methylthiomorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458729
2-[4-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 102783164
2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61207089
2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458679
2-[4-[(cycloheptylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458494
2-[4-[(oxane-2-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 113313868
2-[4-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698437
2-[4-[(3,6-dihydro-2H-pyridine-1-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 114411536
2-[4-[[(3-oxopiperazine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458456
1-(2-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone
CID 66192287
2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458536
2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61186790

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid (CID 113314016) is 2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid is CC1CCCN1C(=O)NCc1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is VIUGZFCPWSSNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-8-3-2-4-16(8)11(19)12-5-9-6-15(14-13-9)7-10(17)18/h6,8H,2-5,7H2,1H3,(H,12,19)(H,17,18).
What are the key properties of 2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 267.29 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 113314016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).