2-(3-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid

C20H21NO3 — CID 4222676

IUPAC2-(3-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid
SMILESCCC(C)c1cc(-c2cn3ccccc3c2C(=O)O)ccc1OC
InChIInChI=1S/C20H21NO3/c1-4-13(2)15-11-14(8-9-18(15)24-3)16-12-21-10-6-5-7-17(21)19(16)20(22)23/h5-13H,4H2,1-3H3,(H,22,23)
InChIKeySNBNGMZTNHHWCZ-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.83
Rot. Bonds5

About 2-(3-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid

2-(3-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid (PubChem CID 4222676) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-(3-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid
PubChem CID4222676
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-(3-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid
SMILESCCC(C)c1cc(-c2cn3ccccc3c2C(=O)O)ccc1OC
InChIInChI=1S/C20H21NO3/c1-4-13(2)15-11-14(8-9-18(15)24-3)16-12-21-10-6-5-7-17(21)19(16)20(22)23/h5-13H,4H2,1-3H3,(H,22,23)
InChIKeySNBNGMZTNHHWCZ-UHFFFAOYSA-N
XLogP4.83
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methoxyphenyl)indolizine-1-carboxylic acid
CID 4307443
2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid
CID 3360201
2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid
CID 4518070
2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid
CID 3637205
2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid
CID 3282928
2-(4-tert-butyl-2,5-diethoxyphenyl)indolizine-1-carboxylic acid
CID 3336525
2-(4-methoxy-3-methylphenyl)indolizin-1-amine
CID 82377823
2-(2-benzylsulfanyl-5-methylphenyl)indolizine-1-carboxylic acid
CID 5137165
6-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 4552709
5-(3-butan-2-yl-4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole
CID 156543315
5-(3-butan-2-yl-4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 71565087
ethyl 2-[3,5-di(butan-2-yl)-4-methoxyphenyl]-3-formylindolizine-1-carboxylate
CID 3555463

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid?
The IUPAC name of 2-(3-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid (CID 4222676) is 2-(3-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid.
What is the SMILES notation for 2-(3-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid?
The canonical SMILES for 2-(3-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid is CCC(C)c1cc(-c2cn3ccccc3c2C(=O)O)ccc1OC.
What is the InChIKey of 2-(3-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid?
The InChIKey is SNBNGMZTNHHWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-4-13(2)15-11-14(8-9-18(15)24-3)16-12-21-10-6-5-7-17(21)19(16)20(22)23/h5-13H,4H2,1-3H3,(H,22,23).
What are the key properties of 2-(3-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid?
2-(3-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid has a molecular weight of 323.39 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid is sourced from PubChem (CID 4222676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).