2-[carboxy(methyl)amino]pyridine-3-carboxylic acid

C8H8N2O4 — CID 67307021

IUPAC2-[carboxy(methyl)amino]pyridine-3-carboxylic acid
SMILESCN(C(=O)O)c1ncccc1C(=O)O
InChIInChI=1S/C8H8N2O4/c1-10(8(13)14)6-5(7(11)12)3-2-4-9-6/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKeyIRZQDLVGOIERGZ-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.89
Rot. Bonds2

About 2-[carboxy(methyl)amino]pyridine-3-carboxylic acid

2-[carboxy(methyl)amino]pyridine-3-carboxylic acid (PubChem CID 67307021) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 2-[carboxy(methyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[carboxy(methyl)amino]pyridine-3-carboxylic acid
PubChem CID67307021
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name2-[carboxy(methyl)amino]pyridine-3-carboxylic acid
SMILESCN(C(=O)O)c1ncccc1C(=O)O
InChIInChI=1S/C8H8N2O4/c1-10(8(13)14)6-5(7(11)12)3-2-4-9-6/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKeyIRZQDLVGOIERGZ-UHFFFAOYSA-N
XLogP0.89
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-methylanilino)pyridine-3-carboxylic acid
CID 139145304
2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62335652
2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 45423294
2-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid
CID 43296968
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide
CID 53015798
methyl-(2-methyl-3-pyridinyl)carbamic acid
CID 54053893
pyridine-2,3-dicarboxylic acid
CID 1066
2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63616222
2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid
CID 167844227
2-[(4-acetamidophenyl)sulfonyl-methylamino]pyridine-3-carboxylic acid
CID 4738961

Frequently Asked Questions

What is the IUPAC name of 2-[carboxy(methyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[carboxy(methyl)amino]pyridine-3-carboxylic acid (CID 67307021) is 2-[carboxy(methyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[carboxy(methyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[carboxy(methyl)amino]pyridine-3-carboxylic acid is CN(C(=O)O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[carboxy(methyl)amino]pyridine-3-carboxylic acid?
The InChIKey is IRZQDLVGOIERGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-10(8(13)14)6-5(7(11)12)3-2-4-9-6/h2-4H,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[carboxy(methyl)amino]pyridine-3-carboxylic acid?
2-[carboxy(methyl)amino]pyridine-3-carboxylic acid has a molecular weight of 196.16 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxy(methyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 67307021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).