6-aminoindolizine-2-carboxylic acid

C9H8N2O2 — CID 82410961

IUPAC6-aminoindolizine-2-carboxylic acid
SMILESNc1ccc2cc(C(=O)O)cn2c1
InChIInChI=1S/C9H8N2O2/c10-7-1-2-8-3-6(9(12)13)4-11(8)5-7/h1-5H,10H2,(H,12,13)
InChIKeyVDXOFFYZLHYISJ-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.22
Rot. Bonds1

About 6-aminoindolizine-2-carboxylic acid

6-aminoindolizine-2-carboxylic acid (PubChem CID 82410961) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 6-aminoindolizine-2-carboxylic acid.

Molecular Properties

Compound Name6-aminoindolizine-2-carboxylic acid
PubChem CID82410961
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name6-aminoindolizine-2-carboxylic acid
SMILESNc1ccc2cc(C(=O)O)cn2c1
InChIInChI=1S/C9H8N2O2/c10-7-1-2-8-3-6(9(12)13)4-11(8)5-7/h1-5H,10H2,(H,12,13)
InChIKeyVDXOFFYZLHYISJ-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

5-aminobenzene-1,3-dicarboxylic acid;benzene-1,4-diamine
CID 142851105
4-aminobenzoic acid;hydrofluoride
CID 159690577
5-aminobenzene-1,3-dicarboxylic acid;zinc
CID 174938502
3-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 76973010
2-methylindolizine-6-carboxamide
CID 599932
bis(4-aminobenzoic acid);ethene
CID 158776608
4-aminobenzoic acid;4-aminophthalic acid
CID 69300442
benzene-1,4-diamine;naphthalene-2,6-dicarboxylic acid
CID 175159598
3-aminobenzoic acid;azane
CID 159954068
3-aminobenzoic acid;prop-1-yne
CID 88718779
benzene-1,4-diamine;furan-2,5-dicarboxylic acid
CID 160946255
4-amino-2-hydroxybenzoic acid;dihydrochloride
CID 140557780

Frequently Asked Questions

What is the IUPAC name of 6-aminoindolizine-2-carboxylic acid?
The IUPAC name of 6-aminoindolizine-2-carboxylic acid (CID 82410961) is 6-aminoindolizine-2-carboxylic acid.
What is the SMILES notation for 6-aminoindolizine-2-carboxylic acid?
The canonical SMILES for 6-aminoindolizine-2-carboxylic acid is Nc1ccc2cc(C(=O)O)cn2c1.
What is the InChIKey of 6-aminoindolizine-2-carboxylic acid?
The InChIKey is VDXOFFYZLHYISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c10-7-1-2-8-3-6(9(12)13)4-11(8)5-7/h1-5H,10H2,(H,12,13).
What are the key properties of 6-aminoindolizine-2-carboxylic acid?
6-aminoindolizine-2-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 6-aminoindolizine-2-carboxylic acid is sourced from PubChem (CID 82410961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).