2-[6-(carboxymethyl)-2-pyridinyl]acetic acid

C9H9NO4 — CID 23422430

IUPAC2-[6-(carboxymethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cccc(CC(=O)O)n1
InChIInChI=1S/C9H9NO4/c11-8(12)4-6-2-1-3-7(10-6)5-9(13)14/h1-3H,4-5H2,(H,11,12)(H,13,14)
InChIKeyDNGNCDPGBKZYEK-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.34
Rot. Bonds4

About 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid

2-[6-(carboxymethyl)-2-pyridinyl]acetic acid (PubChem CID 23422430) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(carboxymethyl)-2-pyridinyl]acetic acid
PubChem CID23422430
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2-[6-(carboxymethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cccc(CC(=O)O)n1
InChIInChI=1S/C9H9NO4/c11-8(12)4-6-2-1-3-7(10-6)5-9(13)14/h1-3H,4-5H2,(H,11,12)(H,13,14)
InChIKeyDNGNCDPGBKZYEK-UHFFFAOYSA-N
XLogP0.34
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[6-(carboxymethyl)-2-pyridinyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid (CID 23422430) is 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid is O=C(O)Cc1cccc(CC(=O)O)n1.
What is the InChIKey of 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid?
The InChIKey is DNGNCDPGBKZYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c11-8(12)4-6-2-1-3-7(10-6)5-9(13)14/h1-3H,4-5H2,(H,11,12)(H,13,14).
What are the key properties of 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid?
2-[6-(carboxymethyl)-2-pyridinyl]acetic acid has a molecular weight of 195.17 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 23422430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).