3-(carboxymethylamino)pyridine-2-carboxylic acid

C8H8N2O4 — CID 89216773

IUPAC3-(carboxymethylamino)pyridine-2-carboxylic acid
SMILESO=C(O)CNc1cccnc1C(=O)O
InChIInChI=1S/C8H8N2O4/c11-6(12)4-10-5-2-1-3-9-7(5)8(13)14/h1-3,10H,4H2,(H,11,12)(H,13,14)
InChIKeyMKCZISIOTXHYGV-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.28
Rot. Bonds4

About 3-(carboxymethylamino)pyridine-2-carboxylic acid

3-(carboxymethylamino)pyridine-2-carboxylic acid (PubChem CID 89216773) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 3-(carboxymethylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(carboxymethylamino)pyridine-2-carboxylic acid
PubChem CID89216773
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name3-(carboxymethylamino)pyridine-2-carboxylic acid
SMILESO=C(O)CNc1cccnc1C(=O)O
InChIInChI=1S/C8H8N2O4/c11-6(12)4-10-5-2-1-3-9-7(5)8(13)14/h1-3,10H,4H2,(H,11,12)(H,13,14)
InChIKeyMKCZISIOTXHYGV-UHFFFAOYSA-N
XLogP0.28
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(carboxymethylamino)pyridine-2-carboxylic acid (CID 89216773) is 3-(carboxymethylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(carboxymethylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(carboxymethylamino)pyridine-2-carboxylic acid is O=C(O)CNc1cccnc1C(=O)O.
What is the InChIKey of 3-(carboxymethylamino)pyridine-2-carboxylic acid?
The InChIKey is MKCZISIOTXHYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-6(12)4-10-5-2-1-3-9-7(5)8(13)14/h1-3,10H,4H2,(H,11,12)(H,13,14).
What are the key properties of 3-(carboxymethylamino)pyridine-2-carboxylic acid?
3-(carboxymethylamino)pyridine-2-carboxylic acid has a molecular weight of 196.16 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 89216773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).