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

C14H25NO3 — CID 79933505

IUPAC2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid
SMILESCC1(C)CC(N2CCCC2(C)C(=O)O)C(C)(C)O1
InChIInChI=1S/C14H25NO3/c1-12(2)9-10(13(3,4)18-12)15-8-6-7-14(15,5)11(16)17/h10H,6-9H2,1-5H3,(H,16,17)
InChIKeyIXNQPZRGXSFMSP-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.27
Rot. Bonds2

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

2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid (PubChem CID 79933505) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid
PubChem CID79933505
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid
SMILESCC1(C)CC(N2CCCC2(C)C(=O)O)C(C)(C)O1
InChIInChI=1S/C14H25NO3/c1-12(2)9-10(13(3,4)18-12)15-8-6-7-14(15,5)11(16)17/h10H,6-9H2,1-5H3,(H,16,17)
InChIKeyIXNQPZRGXSFMSP-UHFFFAOYSA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.27
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-(5,5-dimethylthian-3-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 79946409
2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid
CID 104599130
1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 107000430
1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid
CID 79934218
1-(4-tert-butylcyclohexyl)-2-methylpyrrolidine-2-carboxylic acid
CID 65071175
1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 65071018
1-(2-tert-butylcyclohexyl)-2-methylpyrrolidine-2-carboxylic acid
CID 65070972
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid
CID 104598676
1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid
CID 114621655
1,2-dimethylpiperidine-2-carboxylic acid
CID 73440704
CID 162348779
CID 162348779

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid (CID 79933505) is 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid is CC1(C)CC(N2CCCC2(C)C(=O)O)C(C)(C)O1.
What is the InChIKey of 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is IXNQPZRGXSFMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-12(2)9-10(13(3,4)18-12)15-8-6-7-14(15,5)11(16)17/h10H,6-9H2,1-5H3,(H,16,17).
What are the key properties of 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid?
2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79933505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).