3-(diethylamino)indolizine-6-carboxylic acid

C13H16N2O2 — CID 118738940

IUPAC3-(diethylamino)indolizine-6-carboxylic acid
SMILESCCN(CC)c1ccc2ccc(C(=O)O)cn12
InChIInChI=1S/C13H16N2O2/c1-3-14(4-2)12-8-7-11-6-5-10(13(16)17)9-15(11)12/h5-9H,3-4H2,1-2H3,(H,16,17)
InChIKeyCTPNGDFJHBGPKE-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.48
Rot. Bonds4

About 3-(diethylamino)indolizine-6-carboxylic acid

3-(diethylamino)indolizine-6-carboxylic acid (PubChem CID 118738940) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(diethylamino)indolizine-6-carboxylic acid.

Molecular Properties

Compound Name3-(diethylamino)indolizine-6-carboxylic acid
PubChem CID118738940
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(diethylamino)indolizine-6-carboxylic acid
SMILESCCN(CC)c1ccc2ccc(C(=O)O)cn12
InChIInChI=1S/C13H16N2O2/c1-3-14(4-2)12-8-7-11-6-5-10(13(16)17)9-15(11)12/h5-9H,3-4H2,1-2H3,(H,16,17)
InChIKeyCTPNGDFJHBGPKE-UHFFFAOYSA-N
XLogP2.48
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)indolizine-6-carboxylic acid?
The IUPAC name of 3-(diethylamino)indolizine-6-carboxylic acid (CID 118738940) is 3-(diethylamino)indolizine-6-carboxylic acid.
What is the SMILES notation for 3-(diethylamino)indolizine-6-carboxylic acid?
The canonical SMILES for 3-(diethylamino)indolizine-6-carboxylic acid is CCN(CC)c1ccc2ccc(C(=O)O)cn12.
What is the InChIKey of 3-(diethylamino)indolizine-6-carboxylic acid?
The InChIKey is CTPNGDFJHBGPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-14(4-2)12-8-7-11-6-5-10(13(16)17)9-15(11)12/h5-9H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 3-(diethylamino)indolizine-6-carboxylic acid?
3-(diethylamino)indolizine-6-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)indolizine-6-carboxylic acid is sourced from PubChem (CID 118738940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).