3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid

C13H24N2O2 — CID 65063878

IUPAC3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C)N1CCC(N2CCC(C)(C(=O)O)C2)C1
InChIInChI=1S/C13H24N2O2/c1-10(2)14-6-4-11(8-14)15-7-5-13(3,9-15)12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyNKPRTDYXBAVDDA-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.27
Rot. Bonds3

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

3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid (PubChem CID 65063878) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid
PubChem CID65063878
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C)N1CCC(N2CCC(C)(C(=O)O)C2)C1
InChIInChI=1S/C13H24N2O2/c1-10(2)14-6-4-11(8-14)15-7-5-13(3,9-15)12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyNKPRTDYXBAVDDA-UHFFFAOYSA-N
XLogP1.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid (CID 65063878) is 3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid is CC(C)N1CCC(N2CCC(C)(C(=O)O)C2)C1.
What is the InChIKey of 3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is NKPRTDYXBAVDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)14-6-4-11(8-14)15-7-5-13(3,9-15)12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65063878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).