ethyl (7R)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carboxylate

C17H28N2O2 — CID 11243315

IUPACethyl (7R)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carboxylate
SMILESCCCN(CCC)[C@@H]1CCn2c(ccc2C(=O)OCC)C1
InChIInChI=1S/C17H28N2O2/c1-4-10-18(11-5-2)14-9-12-19-15(13-14)7-8-16(19)17(20)21-6-3/h7-8,14H,4-6,9-13H2,1-3H3/t14-/m1/s1
InChIKeyROZJLRVGVXVODO-CQSZACIVSA-N
MW292.42 g/mol
LogP3.10
Rot. Bonds7

About ethyl (7R)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carboxylate

ethyl (7R)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carboxylate (PubChem CID 11243315) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is ethyl (7R)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl (7R)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carboxylate
PubChem CID11243315
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nameethyl (7R)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carboxylate
SMILESCCCN(CCC)[C@@H]1CCn2c(ccc2C(=O)OCC)C1
InChIInChI=1S/C17H28N2O2/c1-4-10-18(11-5-2)14-9-12-19-15(13-14)7-8-16(19)17(20)21-6-3/h7-8,14H,4-6,9-13H2,1-3H3/t14-/m1/s1
InChIKeyROZJLRVGVXVODO-CQSZACIVSA-N
XLogP3.10
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (7R)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carboxylate?
The IUPAC name of ethyl (7R)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carboxylate (CID 11243315) is ethyl (7R)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carboxylate.
What is the SMILES notation for ethyl (7R)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carboxylate?
The canonical SMILES for ethyl (7R)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carboxylate is CCCN(CCC)[C@@H]1CCn2c(ccc2C(=O)OCC)C1.
What is the InChIKey of ethyl (7R)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carboxylate?
The InChIKey is ROZJLRVGVXVODO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-10-18(11-5-2)14-9-12-19-15(13-14)7-8-16(19)17(20)21-6-3/h7-8,14H,4-6,9-13H2,1-3H3/t14-/m1/s1.
What are the key properties of ethyl (7R)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carboxylate?
ethyl (7R)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carboxylate has a molecular weight of 292.42 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7R)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carboxylate is sourced from PubChem (CID 11243315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).