2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid

C10H12N2O3 — CID 43445021

IUPAC2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
SMILESCN(CCc1ccccn1)C(=O)C(=O)O
InChIInChI=1S/C10H12N2O3/c1-12(9(13)10(14)15)7-5-8-4-2-3-6-11-8/h2-4,6H,5,7H2,1H3,(H,14,15)
InChIKeySERBWANLIIIPOU-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.17
Rot. Bonds3

About 2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid

2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid (PubChem CID 43445021) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
PubChem CID43445021
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
SMILESCN(CCc1ccccn1)C(=O)C(=O)O
InChIInChI=1S/C10H12N2O3/c1-12(9(13)10(14)15)7-5-8-4-2-3-6-11-8/h2-4,6H,5,7H2,1H3,(H,14,15)
InChIKeySERBWANLIIIPOU-UHFFFAOYSA-N
XLogP0.17
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic 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

ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
phenyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate
CID 60681158
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
CID 90483378
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172838
methyl(2-pyridin-2-ylethyl)carbamodithioic acid
CID 88510653
2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195359

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid (CID 43445021) is 2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid is CN(CCc1ccccn1)C(=O)C(=O)O.
What is the InChIKey of 2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid?
The InChIKey is SERBWANLIIIPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-12(9(13)10(14)15)7-5-8-4-2-3-6-11-8/h2-4,6H,5,7H2,1H3,(H,14,15).
What are the key properties of 2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid?
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid has a molecular weight of 208.22 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 43445021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).