1-amino-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylic acid

C10H12N2O3 — CID 115025723

IUPAC1-amino-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylic acid
SMILESNc1cc(C(=O)O)c(=O)n2c1CCCC2
InChIInChI=1S/C10H12N2O3/c11-7-5-6(10(14)15)9(13)12-4-2-1-3-8(7)12/h5H,1-4,11H2,(H,14,15)
InChIKeyNPPDMGWPKMOBBH-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.47
Rot. Bonds1

About 1-amino-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylic acid

1-amino-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylic acid (PubChem CID 115025723) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-amino-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-amino-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylic acid
PubChem CID115025723
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name1-amino-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylic acid
SMILESNc1cc(C(=O)O)c(=O)n2c1CCCC2
InChIInChI=1S/C10H12N2O3/c11-7-5-6(10(14)15)9(13)12-4-2-1-3-8(7)12/h5H,1-4,11H2,(H,14,15)
InChIKeyNPPDMGWPKMOBBH-UHFFFAOYSA-N
XLogP0.47
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylic acid?
The IUPAC name of 1-amino-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylic acid (CID 115025723) is 1-amino-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-amino-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylic acid?
The canonical SMILES for 1-amino-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylic acid is Nc1cc(C(=O)O)c(=O)n2c1CCCC2.
What is the InChIKey of 1-amino-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylic acid?
The InChIKey is NPPDMGWPKMOBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-7-5-6(10(14)15)9(13)12-4-2-1-3-8(7)12/h5H,1-4,11H2,(H,14,15).
What are the key properties of 1-amino-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylic acid?
1-amino-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylic acid is sourced from PubChem (CID 115025723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).