1-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)pyrrolidine-3-carboxylic acid

C13H20N2O3 — CID 114239193

IUPAC1-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C2CC(=O)N3CCCCC23)C1
InChIInChI=1S/C13H20N2O3/c16-12-7-11(10-3-1-2-5-15(10)12)14-6-4-9(8-14)13(17)18/h9-11H,1-8H2,(H,17,18)
InChIKeyOTBWJKMZEBPMJX-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.55
Rot. Bonds2

About 1-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)pyrrolidine-3-carboxylic acid

1-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)pyrrolidine-3-carboxylic acid (PubChem CID 114239193) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)pyrrolidine-3-carboxylic acid
PubChem CID114239193
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C2CC(=O)N3CCCCC23)C1
InChIInChI=1S/C13H20N2O3/c16-12-7-11(10-3-1-2-5-15(10)12)14-6-4-9(8-14)13(17)18/h9-11H,1-8H2,(H,17,18)
InChIKeyOTBWJKMZEBPMJX-UHFFFAOYSA-N
XLogP0.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)pyrrolidine-3-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

Related Compounds

1-(1,2,3,5,6,7,8,8a-Octahydroindolizin-1-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 54968299
1-(1,2,3,5,6,7,8,8a-Octahydroindolizin-1-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 64210036
1-(1,2,3,5,6,7,8,8a-Octahydroindolizin-7-yl)pyrrolidine-3-carboxylic acid
CID 81612855
1-(1,2,3,5,6,7,8,8a-Octahydroindolizin-7-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 81613687
1-(1,2,3,5,6,7,8,8a-Octahydroindolizin-7-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 81613693
1-(1,2,3,5,6,7,8,8a-Octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 81613789
1-(1,2,3,5,6,7,8,8a-Octahydroindolizin-1-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 81886959
1-(1,2,3,5,6,7,8,8a-Octahydroindolizin-1-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 81886964
1-(1,2,3,5,6,7,8,8a-Octahydroindolizin-1-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 81887190
1-(1,2,3,5,6,7,8,8a-Octahydroindolizin-1-yl)pyrrolidine-3-carboxylic acid
CID 81887501
(3S,4S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 105585046
(3S,4S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 105585222

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)pyrrolidine-3-carboxylic acid (CID 114239193) is 1-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C2CC(=O)N3CCCCC23)C1.
What is the InChIKey of 1-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is OTBWJKMZEBPMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-12-7-11(10-3-1-2-5-15(10)12)14-6-4-9(8-14)13(17)18/h9-11H,1-8H2,(H,17,18).
What are the key properties of 1-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)pyrrolidine-3-carboxylic acid?
1-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114239193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).