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

C15H17NO3 — CID 151351334

IUPAC5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid
SMILESO=C(O)C1CCC2CCC(c3ccccc3)C(=O)N21
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)
InChIKeyOMNZJJUYMASAJV-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.01
Rot. Bonds2

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

5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid (PubChem CID 151351334) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid
PubChem CID151351334
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid
SMILESO=C(O)C1CCC2CCC(c3ccccc3)C(=O)N21
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)
InChIKeyOMNZJJUYMASAJV-UHFFFAOYSA-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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Related Compounds

(2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid
CID 698601
1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate
CID 4712506
2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoic acid
CID 2886642
(2S,4R)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]-4-phenylpyrrolidine-2-carboxylic acid
CID 12805601
(1S)-2-[(Z)-octadec-9-enoyl]-1,3-dihydroisoindole-1-carboxylic acid
CID 145969514
(1R)-2-[(Z)-octadec-9-enoyl]-1,3-dihydroisoindole-1-carboxylic acid
CID 145970628
(1R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]-1,3-dihydroisoindole-1-carboxylic acid
CID 145970637
(1S)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]-1,3-dihydroisoindole-1-carboxylic acid
CID 145970878
1-(2-Phenylacetyl)pyrrolidine-2-carboxylic acid
CID 2831887
(2S,4S)-1-(2,2-diphenylacetyl)-4-(4-phenylbutyl)-pyrrolidine-2-carboxylic acid
CID 89681611
1-[(Tert-butoxy)carbonyl]-3-phenylpyrrolidine-2-carboxylic acid
CID 4712514
rac-(2R,4S)-1-[(tert-butoxy)carbonyl]-4-phenylpyrrolidine-2-carboxylic acid
CID 45024438

Frequently Asked Questions

What is the IUPAC name of 5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid?
The IUPAC name of 5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid (CID 151351334) is 5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid?
The canonical SMILES for 5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid is O=C(O)C1CCC2CCC(c3ccccc3)C(=O)N21.
What is the InChIKey of 5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid?
The InChIKey is OMNZJJUYMASAJV-UHFFFAOYSA-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).
What are the key properties of 5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid?
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 5-oxo-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid is sourced from PubChem (CID 151351334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).