7-aminoindolizine-3-carboxylic acid

C9H8N2O2 — CID 155920997

IUPAC7-aminoindolizine-3-carboxylic acid
SMILESNc1ccn2c(C(=O)O)ccc2c1
InChIInChI=1S/C9H8N2O2/c10-6-3-4-11-7(5-6)1-2-8(11)9(12)13/h1-5H,10H2,(H,12,13)
InChIKeyOUPVCXUAKJICMG-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.22
Rot. Bonds1

About 7-aminoindolizine-3-carboxylic acid

7-aminoindolizine-3-carboxylic acid (PubChem CID 155920997) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 7-aminoindolizine-3-carboxylic acid.

Molecular Properties

Compound Name7-aminoindolizine-3-carboxylic acid
PubChem CID155920997
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name7-aminoindolizine-3-carboxylic acid
SMILESNc1ccn2c(C(=O)O)ccc2c1
InChIInChI=1S/C9H8N2O2/c10-6-3-4-11-7(5-6)1-2-8(11)9(12)13/h1-5H,10H2,(H,12,13)
InChIKeyOUPVCXUAKJICMG-UHFFFAOYSA-N
XLogP1.22
TPSA67.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-hydroxyindolizine-3-carboxylic acid
CID 115014793
3-(7-aminoimidazo[1,5-a]pyridin-3-yl)benzoic acid
CID 117158533
6,7-dioxopyrrolo[1,2-b]isoquinoline-3-carboxylic acid
CID 146682674
7-oxo-1H-imidazo[1,2-a]pyridine-3-carboxylic acid
CID 67976217
4-hydroxy-8-oxoquinolizine-3-carboxylic acid
CID 136982100
8-bromo-4-oxoquinolizine-3-carboxylic acid
CID 115049814
6-aminoindolizine-2-carboxylic acid
CID 82410961
5-benzoylindolizine-7-carboxylic acid
CID 171758340
7-amino-3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251691
cesium 5-amino-2-carboxyphenolate
CID 23674816
4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid
CID 22096985
3-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 76973010

Frequently Asked Questions

What is the IUPAC name of 7-aminoindolizine-3-carboxylic acid?
The IUPAC name of 7-aminoindolizine-3-carboxylic acid (CID 155920997) is 7-aminoindolizine-3-carboxylic acid.
What is the SMILES notation for 7-aminoindolizine-3-carboxylic acid?
The canonical SMILES for 7-aminoindolizine-3-carboxylic acid is Nc1ccn2c(C(=O)O)ccc2c1.
What is the InChIKey of 7-aminoindolizine-3-carboxylic acid?
The InChIKey is OUPVCXUAKJICMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c10-6-3-4-11-7(5-6)1-2-8(11)9(12)13/h1-5H,10H2,(H,12,13).
What are the key properties of 7-aminoindolizine-3-carboxylic acid?
7-aminoindolizine-3-carboxylic acid has a molecular weight of 176.17 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminoindolizine-3-carboxylic acid is sourced from PubChem (CID 155920997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).