2-(3-amino-4-oxoquinolizin-1-yl)acetic acid

C11H10N2O3 — CID 82393340

IUPAC2-(3-amino-4-oxoquinolizin-1-yl)acetic acid
SMILESNc1cc(CC(=O)O)c2ccccn2c1=O
InChIInChI=1S/C11H10N2O3/c12-8-5-7(6-10(14)15)9-3-1-2-4-13(9)11(8)16/h1-5H,6,12H2,(H,14,15)
InChIKeyGTYKBDILJUBWAY-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.51
Rot. Bonds2

About 2-(3-amino-4-oxoquinolizin-1-yl)acetic acid

2-(3-amino-4-oxoquinolizin-1-yl)acetic acid (PubChem CID 82393340) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(3-amino-4-oxoquinolizin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-4-oxoquinolizin-1-yl)acetic acid
PubChem CID82393340
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-(3-amino-4-oxoquinolizin-1-yl)acetic acid
SMILESNc1cc(CC(=O)O)c2ccccn2c1=O
InChIInChI=1S/C11H10N2O3/c12-8-5-7(6-10(14)15)9-3-1-2-4-13(9)11(8)16/h1-5H,6,12H2,(H,14,15)
InChIKeyGTYKBDILJUBWAY-UHFFFAOYSA-N
XLogP0.51
TPSA84.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 28797826
2-(9-amino-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetic acid
CID 115031157
1-fluoro-4-oxoquinolizine-3-carboxylic acid
CID 56610835
4-oxo-1-[(3-oxo-4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid
CID 70692446
4-oxo-1-[(5-phenyl-2-pyridinyl)methyl]quinolizine-3-carboxylic acid
CID 58360359
ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
1,5-bis(3-phenylindolizin-1-yl)pentan-3-one
CID 174585238
2-(3-ethylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 28797830
1-aminoquinolizin-4-one;dihydrobromide
CID 131863713
2-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]acetic acid
CID 86711675
methyl 2-(3-acetylindolizin-1-yl)acetate
CID 91665310
2-(3-cyclopropylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 75357284

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-oxoquinolizin-1-yl)acetic acid?
The IUPAC name of 2-(3-amino-4-oxoquinolizin-1-yl)acetic acid (CID 82393340) is 2-(3-amino-4-oxoquinolizin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-amino-4-oxoquinolizin-1-yl)acetic acid?
The canonical SMILES for 2-(3-amino-4-oxoquinolizin-1-yl)acetic acid is Nc1cc(CC(=O)O)c2ccccn2c1=O.
What is the InChIKey of 2-(3-amino-4-oxoquinolizin-1-yl)acetic acid?
The InChIKey is GTYKBDILJUBWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c12-8-5-7(6-10(14)15)9-3-1-2-4-13(9)11(8)16/h1-5H,6,12H2,(H,14,15).
What are the key properties of 2-(3-amino-4-oxoquinolizin-1-yl)acetic acid?
2-(3-amino-4-oxoquinolizin-1-yl)acetic acid has a molecular weight of 218.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-oxoquinolizin-1-yl)acetic acid is sourced from PubChem (CID 82393340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).