4-amino-1,2-dihydropyridine-5-carboxylic acid

C6H8N2O2 — CID 86340261

IUPAC4-amino-1,2-dihydropyridine-5-carboxylic acid
SMILESNC1=CCNC=C1C(=O)O
InChIInChI=1S/C6H8N2O2/c7-5-1-2-8-3-4(5)6(9)10/h1,3,8H,2,7H2,(H,9,10)
InChIKeyAKWWBDKTWXGPQY-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.60
Rot. Bonds1

About 4-amino-1,2-dihydropyridine-5-carboxylic acid

4-amino-1,2-dihydropyridine-5-carboxylic acid (PubChem CID 86340261) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 4-amino-1,2-dihydropyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-1,2-dihydropyridine-5-carboxylic acid
PubChem CID86340261
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name4-amino-1,2-dihydropyridine-5-carboxylic acid
SMILESNC1=CCNC=C1C(=O)O
InChIInChI=1S/C6H8N2O2/c7-5-1-2-8-3-4(5)6(9)10/h1,3,8H,2,7H2,(H,9,10)
InChIKeyAKWWBDKTWXGPQY-UHFFFAOYSA-N
XLogP-0.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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5-oxocyclopentene-1-carboxylic acid
CID 19392068
4,4-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-d]azepine-2,8-dicarboxylic acid
CID 152771361
1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrobromide
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ethene;1,2,3,6-tetrahydropyridine-4-carboxylic acid
CID 142140047
6,7-dihydro-1-benzofuran-4-carboxylic acid
CID 174943247
2,5-dihydro-1H-pyridin-5-ylium-4-amine
CID 88520258
4-methylcyclohepta-2,4,7-triene-1,2-dicarboxylic acid
CID 123625122
1,2-dihydropyridine-4-carbothioic S-acid
CID 174898031
5-methyl-1,2-dihydropyridine-3-carboxylic acid
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4-methylidene-5,6-dioxocyclohexene-1-carboxylic acid
CID 57043742

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,2-dihydropyridine-5-carboxylic acid?
The IUPAC name of 4-amino-1,2-dihydropyridine-5-carboxylic acid (CID 86340261) is 4-amino-1,2-dihydropyridine-5-carboxylic acid.
What is the SMILES notation for 4-amino-1,2-dihydropyridine-5-carboxylic acid?
The canonical SMILES for 4-amino-1,2-dihydropyridine-5-carboxylic acid is NC1=CCNC=C1C(=O)O.
What is the InChIKey of 4-amino-1,2-dihydropyridine-5-carboxylic acid?
The InChIKey is AKWWBDKTWXGPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c7-5-1-2-8-3-4(5)6(9)10/h1,3,8H,2,7H2,(H,9,10).
What are the key properties of 4-amino-1,2-dihydropyridine-5-carboxylic acid?
4-amino-1,2-dihydropyridine-5-carboxylic acid has a molecular weight of 140.14 g/mol, XLogP of -0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,2-dihydropyridine-5-carboxylic acid is sourced from PubChem (CID 86340261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).