1-methoxy-2-methylindolizine-6-carboxylic acid

C11H11NO3 — CID 68848325

IUPAC1-methoxy-2-methylindolizine-6-carboxylic acid
SMILESCOc1c(C)cn2cc(C(=O)O)ccc12
InChIInChI=1S/C11H11NO3/c1-7-5-12-6-8(11(13)14)3-4-9(12)10(7)15-2/h3-6H,1-2H3,(H,13,14)
InChIKeyZXCVVNDVPHCXQK-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.95
Rot. Bonds2

About 1-methoxy-2-methylindolizine-6-carboxylic acid

1-methoxy-2-methylindolizine-6-carboxylic acid (PubChem CID 68848325) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-methoxy-2-methylindolizine-6-carboxylic acid.

Molecular Properties

Compound Name1-methoxy-2-methylindolizine-6-carboxylic acid
PubChem CID68848325
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name1-methoxy-2-methylindolizine-6-carboxylic acid
SMILESCOc1c(C)cn2cc(C(=O)O)ccc12
InChIInChI=1S/C11H11NO3/c1-7-5-12-6-8(11(13)14)3-4-9(12)10(7)15-2/h3-6H,1-2H3,(H,13,14)
InChIKeyZXCVVNDVPHCXQK-UHFFFAOYSA-N
XLogP1.95
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-2-methylindolizine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylindolizine-6-carboxylic acid?
The IUPAC name of 1-methoxy-2-methylindolizine-6-carboxylic acid (CID 68848325) is 1-methoxy-2-methylindolizine-6-carboxylic acid.
What is the SMILES notation for 1-methoxy-2-methylindolizine-6-carboxylic acid?
The canonical SMILES for 1-methoxy-2-methylindolizine-6-carboxylic acid is COc1c(C)cn2cc(C(=O)O)ccc12.
What is the InChIKey of 1-methoxy-2-methylindolizine-6-carboxylic acid?
The InChIKey is ZXCVVNDVPHCXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7-5-12-6-8(11(13)14)3-4-9(12)10(7)15-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of 1-methoxy-2-methylindolizine-6-carboxylic acid?
1-methoxy-2-methylindolizine-6-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylindolizine-6-carboxylic acid is sourced from PubChem (CID 68848325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).