Nicotinuric Acid

C8H8N2O3 — CID 68499

IUPAC2-(pyridine-3-carbonylamino)acetic acid
SMILESC1=CC(=CN=C1)C(=O)NCC(=O)O
InChIInChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12)
InChIKeyZBSGKPYXQINNGF-UHFFFAOYSA-N
MW180.16 g/mol
LogP-0.40
Rot. Bonds3

About Nicotinuric Acid

Nicotinuric Acid (PubChem CID 68499) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-(pyridine-3-carbonylamino)acetic acid.

Molecular Properties

Compound NameNicotinuric Acid
PubChem CID68499
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2-(pyridine-3-carbonylamino)acetic acid
SMILESC1=CC(=CN=C1)C(=O)NCC(=O)O
InChIInChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12)
InChIKeyZBSGKPYXQINNGF-UHFFFAOYSA-N
XLogP-0.40
TPSA79.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity206

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Nicotinamide
CID 936
Nicorandil
CID 47528
Flonicamid
CID 9834513
N'-Methylnicotinamide
CID 64950
N,N-Diethylnicotinamide
CID 5497
1-Methylnicotinamide
CID 457
Nicotinohydroxamic acid
CID 71211
Nicotinamide N-oxide
CID 72661
Nicaraven
CID 71234
N-Ethylnicotinamide
CID 78007
N-(Hydroxymethyl)nicotinamide
CID 77116
4-((3-Pyridinylcarbonyl)amino)butanoic acid
CID 60608

Frequently Asked Questions

What is the IUPAC name of Nicotinuric Acid?
The IUPAC name of Nicotinuric Acid (CID 68499) is 2-(pyridine-3-carbonylamino)acetic acid.
What is the SMILES notation for Nicotinuric Acid?
The canonical SMILES for Nicotinuric Acid is C1=CC(=CN=C1)C(=O)NCC(=O)O.
What is the InChIKey of Nicotinuric Acid?
The InChIKey is ZBSGKPYXQINNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12).
What are the key properties of Nicotinuric Acid?
Nicotinuric Acid has a molecular weight of 180.16 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Nicotinuric Acid is sourced from PubChem (CID 68499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).