3-(8-ethyl-3-methoxycarbonyl-6,7-dihydro-5H-indolizin-8-yl)propanoic acid

C15H21NO4 — CID 11507409

IUPAC3-(8-ethyl-3-methoxycarbonyl-6,7-dihydro-5H-indolizin-8-yl)propanoic acid
SMILESCCC1(CCC(=O)O)CCCn2c(C(=O)OC)ccc21
InChIInChI=1S/C15H21NO4/c1-3-15(9-7-13(17)18)8-4-10-16-11(14(19)20-2)5-6-12(15)16/h5-6H,3-4,7-10H2,1-2H3,(H,17,18)
InChIKeyHYIYLVYKHLNYLR-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.58
Rot. Bonds5

About 3-(8-ethyl-3-methoxycarbonyl-6,7-dihydro-5H-indolizin-8-yl)propanoic acid

3-(8-ethyl-3-methoxycarbonyl-6,7-dihydro-5H-indolizin-8-yl)propanoic acid (PubChem CID 11507409) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(8-ethyl-3-methoxycarbonyl-6,7-dihydro-5H-indolizin-8-yl)propanoic acid.

Molecular Properties

Compound Name3-(8-ethyl-3-methoxycarbonyl-6,7-dihydro-5H-indolizin-8-yl)propanoic acid
PubChem CID11507409
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-(8-ethyl-3-methoxycarbonyl-6,7-dihydro-5H-indolizin-8-yl)propanoic acid
SMILESCCC1(CCC(=O)O)CCCn2c(C(=O)OC)ccc21
InChIInChI=1S/C15H21NO4/c1-3-15(9-7-13(17)18)8-4-10-16-11(14(19)20-2)5-6-12(15)16/h5-6H,3-4,7-10H2,1-2H3,(H,17,18)
InChIKeyHYIYLVYKHLNYLR-UHFFFAOYSA-N
XLogP2.58
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(8-ethyl-3-methoxycarbonyl-6,7-dihydro-5H-indolizin-8-yl)propanoic acid?
The IUPAC name of 3-(8-ethyl-3-methoxycarbonyl-6,7-dihydro-5H-indolizin-8-yl)propanoic acid (CID 11507409) is 3-(8-ethyl-3-methoxycarbonyl-6,7-dihydro-5H-indolizin-8-yl)propanoic acid.
What is the SMILES notation for 3-(8-ethyl-3-methoxycarbonyl-6,7-dihydro-5H-indolizin-8-yl)propanoic acid?
The canonical SMILES for 3-(8-ethyl-3-methoxycarbonyl-6,7-dihydro-5H-indolizin-8-yl)propanoic acid is CCC1(CCC(=O)O)CCCn2c(C(=O)OC)ccc21.
What is the InChIKey of 3-(8-ethyl-3-methoxycarbonyl-6,7-dihydro-5H-indolizin-8-yl)propanoic acid?
The InChIKey is HYIYLVYKHLNYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-15(9-7-13(17)18)8-4-10-16-11(14(19)20-2)5-6-12(15)16/h5-6H,3-4,7-10H2,1-2H3,(H,17,18).
What are the key properties of 3-(8-ethyl-3-methoxycarbonyl-6,7-dihydro-5H-indolizin-8-yl)propanoic acid?
3-(8-ethyl-3-methoxycarbonyl-6,7-dihydro-5H-indolizin-8-yl)propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-ethyl-3-methoxycarbonyl-6,7-dihydro-5H-indolizin-8-yl)propanoic acid is sourced from PubChem (CID 11507409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).