(8aS)-5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid

C15H17NO3 — CID 175333542

IUPAC(8aS)-5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid
SMILESO=C(O)C1CC[C@@H]2CCC(c3ccccc3)C(=O)N12
InChIInChI=1S/C15H17NO3/c17-14-12(10-4-2-1-3-5-10)8-6-11-7-9-13(15(18)19)16(11)14/h1-5,11-13H,6-9H2,(H,18,19)/t11-,12?,13?/m0/s1
InChIKeyOMNZJJUYMASAJV-HIFPTAJRSA-N
MW259.30 g/mol
LogP2.01
Rot. Bonds2

About (8aS)-5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid

(8aS)-5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid (PubChem CID 175333542) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is (8aS)-5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid.

Molecular Properties

Compound Name(8aS)-5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid
PubChem CID175333542
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name(8aS)-5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid
SMILESO=C(O)C1CC[C@@H]2CCC(c3ccccc3)C(=O)N12
InChIInChI=1S/C15H17NO3/c17-14-12(10-4-2-1-3-5-10)8-6-11-7-9-13(15(18)19)16(11)14/h1-5,11-13H,6-9H2,(H,18,19)/t11-,12?,13?/m0/s1
InChIKeyOMNZJJUYMASAJV-HIFPTAJRSA-N
XLogP2.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aS)-5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid?
The IUPAC name of (8aS)-5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid (CID 175333542) is (8aS)-5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid.
What is the SMILES notation for (8aS)-5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid?
The canonical SMILES for (8aS)-5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid is O=C(O)C1CC[C@@H]2CCC(c3ccccc3)C(=O)N12.
What is the InChIKey of (8aS)-5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid?
The InChIKey is OMNZJJUYMASAJV-HIFPTAJRSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14-12(10-4-2-1-3-5-10)8-6-11-7-9-13(15(18)19)16(11)14/h1-5,11-13H,6-9H2,(H,18,19)/t11-,12?,13?/m0/s1.
What are the key properties of (8aS)-5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid?
(8aS)-5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid is sourced from PubChem (CID 175333542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).