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

C9H13NO3 — CID 129388955

IUPAC(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@@H]2CCC(=O)N2C1
InChIInChI=1S/C9H13NO3/c11-8-4-3-7-2-1-6(9(12)13)5-10(7)8/h6-7H,1-5H2,(H,12,13)/t6-,7-/m1/s1
InChIKeyWFQSFUFRBIREPZ-RNFRBKRXSA-N
MW183.21 g/mol
LogP0.47
Rot. Bonds1

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

(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid (PubChem CID 129388955) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid.

Molecular Properties

Compound Name(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
PubChem CID129388955
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@@H]2CCC(=O)N2C1
InChIInChI=1S/C9H13NO3/c11-8-4-3-7-2-1-6(9(12)13)5-10(7)8/h6-7H,1-5H2,(H,12,13)/t6-,7-/m1/s1
InChIKeyWFQSFUFRBIREPZ-RNFRBKRXSA-N
XLogP0.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid with MolForge

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Related Compounds

(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
CID 86727694
(6S,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
CID 86727879
1-cyclopentyl-6-oxopiperidine-3-carboxylic acid
CID 44827692
6-oxo-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid
CID 103968342
(4aS,7S)-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazine-7-carboxylic acid
CID 129388992
1-(1,1-dioxothian-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 43614759
1-[4-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690671
5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
CID 168691287
6-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131876212
1-(2,3-dimethylcyclopentyl)-6-oxopiperidine-3-carboxylic acid
CID 64920899
methyl (3S,9aR)-6-oxo-1,2,3,4,7,8,9,9a-octahydroquinolizine-3-carboxylate
CID 90283116
(6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid
CID 99646275

Frequently Asked Questions

What is the IUPAC name of (6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid?
The IUPAC name of (6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid (CID 129388955) is (6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid.
What is the SMILES notation for (6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid?
The canonical SMILES for (6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid is O=C(O)[C@@H]1CC[C@@H]2CCC(=O)N2C1.
What is the InChIKey of (6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid?
The InChIKey is WFQSFUFRBIREPZ-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H13NO3/c11-8-4-3-7-2-1-6(9(12)13)5-10(7)8/h6-7H,1-5H2,(H,12,13)/t6-,7-/m1/s1.
What are the key properties of (6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid?
(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid is sourced from PubChem (CID 129388955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).