6-(1-carboxyethylamino)pyridine-3-carboxylic acid

C9H10N2O4 — CID 82357197

IUPAC6-(1-carboxyethylamino)pyridine-3-carboxylic acid
SMILESCC(Nc1ccc(C(=O)O)cn1)C(=O)O
InChIInChI=1S/C9H10N2O4/c1-5(8(12)13)11-7-3-2-6(4-10-7)9(14)15/h2-5H,1H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyAVGPDKLKFMZTGS-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.66
Rot. Bonds4

About 6-(1-carboxyethylamino)pyridine-3-carboxylic acid

6-(1-carboxyethylamino)pyridine-3-carboxylic acid (PubChem CID 82357197) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 6-(1-carboxyethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1-carboxyethylamino)pyridine-3-carboxylic acid
PubChem CID82357197
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name6-(1-carboxyethylamino)pyridine-3-carboxylic acid
SMILESCC(Nc1ccc(C(=O)O)cn1)C(=O)O
InChIInChI=1S/C9H10N2O4/c1-5(8(12)13)11-7-3-2-6(4-10-7)9(14)15/h2-5H,1H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyAVGPDKLKFMZTGS-UHFFFAOYSA-N
XLogP0.66
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-(1-carboxyethylamino)pyridine-3-carboxylic 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

6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 54959157
2-[(5-amino-2-pyridinyl)amino]propanoic acid
CID 117044543
(2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid
CID 122049964
6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 63011971
6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 65034852
4-[[(1R)-1-carboxyethyl]amino]benzoic acid
CID 45089845
6-hydrazinylpyridine-3-carboxylic acid
CID 3782617
hydrazine;6-hydrazinylpyridine-3-carboxylic acid
CID 166604204
3-[(5-iodo-2-pyridinyl)amino]butan-2-one
CID 18755928
6-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63002439
6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid
CID 113421841
2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride
CID 70348749

Frequently Asked Questions

What is the IUPAC name of 6-(1-carboxyethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(1-carboxyethylamino)pyridine-3-carboxylic acid (CID 82357197) is 6-(1-carboxyethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1-carboxyethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(1-carboxyethylamino)pyridine-3-carboxylic acid is CC(Nc1ccc(C(=O)O)cn1)C(=O)O.
What is the InChIKey of 6-(1-carboxyethylamino)pyridine-3-carboxylic acid?
The InChIKey is AVGPDKLKFMZTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-5(8(12)13)11-7-3-2-6(4-10-7)9(14)15/h2-5H,1H3,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 6-(1-carboxyethylamino)pyridine-3-carboxylic acid?
6-(1-carboxyethylamino)pyridine-3-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-carboxyethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 82357197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).