1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid

C13H23NO3 — CID 79934218

IUPAC1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid
SMILESCC1(C)CC(N2CCC(C(=O)O)C2)C(C)(C)O1
InChIInChI=1S/C13H23NO3/c1-12(2)7-10(13(3,4)17-12)14-6-5-9(8-14)11(15)16/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyALBCFLGGKLBYEU-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds2

About 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid

1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid (PubChem CID 79934218) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid
PubChem CID79934218
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid
SMILESCC1(C)CC(N2CCC(C(=O)O)C2)C(C)(C)O1
InChIInChI=1S/C13H23NO3/c1-12(2)7-10(13(3,4)17-12)14-6-5-9(8-14)11(15)16/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyALBCFLGGKLBYEU-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid
CID 79933599
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-3-carbothioamide
CID 114621322
2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814212
1-(2,2,5,5-tetramethyloxolan-3-yl)azetidin-3-ol
CID 114623874
1-(2,2-dimethylcyclohexyl)pyrrolidine-3-carboxylic acid
CID 79853568
[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methanol
CID 114623860
7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79933602
1-(3,3-dimethylcyclopentyl)pyrrolidine-3-carboxylic acid
CID 80699838
4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid
CID 114621834
3-ethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
CID 114620933
N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]methyl]propan-1-amine
CID 114624087
3-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)azetidin-3-ol
CID 114623881

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid (CID 79934218) is 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid is CC1(C)CC(N2CCC(C(=O)O)C2)C(C)(C)O1.
What is the InChIKey of 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is ALBCFLGGKLBYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2)7-10(13(3,4)17-12)14-6-5-9(8-14)11(15)16/h9-10H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid?
1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79934218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).