2-methyl-1-(2-methyloxolan-3-yl)pyrrolidine-3-carboxylic acid

C11H19NO3 — CID 82719463

IUPAC2-methyl-1-(2-methyloxolan-3-yl)pyrrolidine-3-carboxylic acid
SMILESCC1OCCC1N1CCC(C(=O)O)C1C
InChIInChI=1S/C11H19NO3/c1-7-9(11(13)14)3-5-12(7)10-4-6-15-8(10)2/h7-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyJSXQGFCQYRYPCY-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.96
Rot. Bonds2

About 2-methyl-1-(2-methyloxolan-3-yl)pyrrolidine-3-carboxylic acid

2-methyl-1-(2-methyloxolan-3-yl)pyrrolidine-3-carboxylic acid (PubChem CID 82719463) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-methyl-1-(2-methyloxolan-3-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-methyloxolan-3-yl)pyrrolidine-3-carboxylic acid
PubChem CID82719463
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-methyl-1-(2-methyloxolan-3-yl)pyrrolidine-3-carboxylic acid
SMILESCC1OCCC1N1CCC(C(=O)O)C1C
InChIInChI=1S/C11H19NO3/c1-7-9(11(13)14)3-5-12(7)10-4-6-15-8(10)2/h7-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyJSXQGFCQYRYPCY-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyloxolan-3-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-methyloxolan-3-yl)pyrrolidine-3-carboxylic acid (CID 82719463) is 2-methyl-1-(2-methyloxolan-3-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-methyloxolan-3-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-methyloxolan-3-yl)pyrrolidine-3-carboxylic acid is CC1OCCC1N1CCC(C(=O)O)C1C.
What is the InChIKey of 2-methyl-1-(2-methyloxolan-3-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is JSXQGFCQYRYPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7-9(11(13)14)3-5-12(7)10-4-6-15-8(10)2/h7-10H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-1-(2-methyloxolan-3-yl)pyrrolidine-3-carboxylic acid?
2-methyl-1-(2-methyloxolan-3-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 0.96, 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-methyloxolan-3-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82719463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).