spiro[bicyclo[2.2.2]octane-2,4'-pyrrolidine]-3'-carboxylic acid

C12H19NO2 — CID 127020148

IUPACspiro[bicyclo[2.2.2]octane-2,4'-pyrrolidine]-3'-carboxylic acid
SMILESO=C(O)C1CNCC12CC1CCC2CC1
InChIInChI=1S/C12H19NO2/c14-11(15)10-6-13-7-12(10)5-8-1-3-9(12)4-2-8/h8-10,13H,1-7H2,(H,14,15)
InChIKeyCXOQEQMXIWITDX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.49
Rot. Bonds1

About spiro[bicyclo[2.2.2]octane-2,4'-pyrrolidine]-3'-carboxylic acid

spiro[bicyclo[2.2.2]octane-2,4'-pyrrolidine]-3'-carboxylic acid (PubChem CID 127020148) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is spiro[bicyclo[2.2.2]octane-2,4'-pyrrolidine]-3'-carboxylic acid.

Molecular Properties

Compound Namespiro[bicyclo[2.2.2]octane-2,4'-pyrrolidine]-3'-carboxylic acid
PubChem CID127020148
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namespiro[bicyclo[2.2.2]octane-2,4'-pyrrolidine]-3'-carboxylic acid
SMILESO=C(O)C1CNCC12CC1CCC2CC1
InChIInChI=1S/C12H19NO2/c14-11(15)10-6-13-7-12(10)5-8-1-3-9(12)4-2-8/h8-10,13H,1-7H2,(H,14,15)
InChIKeyCXOQEQMXIWITDX-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dimethyl-2-azaspiro[4.5]decane-4-carboxylic acid
CID 64754215
(1S)-2,2-dicyclopropylcyclopropane-1-carboxylic acid
CID 7333324
(3S,4S)-4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 96868579
4'-methylspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]
CID 20705204
4,4-diethylpyrrolidine-3-carboxylic acid
CID 63939611
2-chlorobicyclo[2.2.2]octane-2-carboxylic acid
CID 165475215
5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155822908
2,2-dimethyl-6-azaspiro[3.4]octane-8-carboxylic acid
CID 131143190
trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915452
cis-(1R,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915450
4-cyclopropyl-4-methylpyrrolidine-3-carboxamide
CID 114486962
6,9-dimethyl-2-azaspiro[4.5]decane-4-carboxamide
CID 114486982

Frequently Asked Questions

What is the IUPAC name of spiro[bicyclo[2.2.2]octane-2,4'-pyrrolidine]-3'-carboxylic acid?
The IUPAC name of spiro[bicyclo[2.2.2]octane-2,4'-pyrrolidine]-3'-carboxylic acid (CID 127020148) is spiro[bicyclo[2.2.2]octane-2,4'-pyrrolidine]-3'-carboxylic acid.
What is the SMILES notation for spiro[bicyclo[2.2.2]octane-2,4'-pyrrolidine]-3'-carboxylic acid?
The canonical SMILES for spiro[bicyclo[2.2.2]octane-2,4'-pyrrolidine]-3'-carboxylic acid is O=C(O)C1CNCC12CC1CCC2CC1.
What is the InChIKey of spiro[bicyclo[2.2.2]octane-2,4'-pyrrolidine]-3'-carboxylic acid?
The InChIKey is CXOQEQMXIWITDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-11(15)10-6-13-7-12(10)5-8-1-3-9(12)4-2-8/h8-10,13H,1-7H2,(H,14,15).
What are the key properties of spiro[bicyclo[2.2.2]octane-2,4'-pyrrolidine]-3'-carboxylic acid?
spiro[bicyclo[2.2.2]octane-2,4'-pyrrolidine]-3'-carboxylic acid has a molecular weight of 209.29 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[bicyclo[2.2.2]octane-2,4'-pyrrolidine]-3'-carboxylic acid is sourced from PubChem (CID 127020148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).