(6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid

C11H17NO3 — CID 99646275

IUPAC(6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid
SMILESCC1(C)C[C@H]2CC[C@@H](C(=O)O)CN2C1=O
InChIInChI=1S/C11H17NO3/c1-11(2)5-8-4-3-7(9(13)14)6-12(8)10(11)15/h7-8H,3-6H2,1-2H3,(H,13,14)/t7-,8-/m1/s1
InChIKeyPDFHVZCHFMXMEY-HTQZYQBOSA-N
MW211.26 g/mol
LogP1.11
Rot. Bonds1

About (6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid

(6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid (PubChem CID 99646275) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid.

Molecular Properties

Compound Name(6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid
PubChem CID99646275
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid
SMILESCC1(C)C[C@H]2CC[C@@H](C(=O)O)CN2C1=O
InChIInChI=1S/C11H17NO3/c1-11(2)5-8-4-3-7(9(13)14)6-12(8)10(11)15/h7-8H,3-6H2,1-2H3,(H,13,14)/t7-,8-/m1/s1
InChIKeyPDFHVZCHFMXMEY-HTQZYQBOSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-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

(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
(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
CID 129388955
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
cis-(1R,3S)-3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 106321907
(6R,8aS)-1-methyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-6-carboxylic acid
CID 86727704
1-cyclopentyl-6-oxopiperidine-3-carboxylic acid
CID 44827692
1-[4-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690671
4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
CID 116979822
4-(4-tert-butyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
CID 116979825
3,3-dimethyl-4-oxocyclopentane-1-carboxylic acid
CID 567708

Frequently Asked Questions

What is the IUPAC name of (6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid?
The IUPAC name of (6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid (CID 99646275) is (6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid.
What is the SMILES notation for (6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid?
The canonical SMILES for (6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid is CC1(C)C[C@H]2CC[C@@H](C(=O)O)CN2C1=O.
What is the InChIKey of (6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid?
The InChIKey is PDFHVZCHFMXMEY-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(2)5-8-4-3-7(9(13)14)6-12(8)10(11)15/h7-8H,3-6H2,1-2H3,(H,13,14)/t7-,8-/m1/s1.
What are the key properties of (6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid?
(6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid is sourced from PubChem (CID 99646275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).