3-(2-cyclobutyl-2-hydroxyethyl)pyrrolidine-1-carboxylic acid

C11H19NO3 — CID 66734279

IUPAC3-(2-cyclobutyl-2-hydroxyethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CC(O)C2CCC2)C1
InChIInChI=1S/C11H19NO3/c13-10(9-2-1-3-9)6-8-4-5-12(7-8)11(14)15/h8-10,13H,1-7H2,(H,14,15)
InChIKeyTWGOJXTUWVIDDW-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.54
Rot. Bonds3

About 3-(2-cyclobutyl-2-hydroxyethyl)pyrrolidine-1-carboxylic acid

3-(2-cyclobutyl-2-hydroxyethyl)pyrrolidine-1-carboxylic acid (PubChem CID 66734279) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(2-cyclobutyl-2-hydroxyethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-cyclobutyl-2-hydroxyethyl)pyrrolidine-1-carboxylic acid
PubChem CID66734279
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-(2-cyclobutyl-2-hydroxyethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CC(O)C2CCC2)C1
InChIInChI=1S/C11H19NO3/c13-10(9-2-1-3-9)6-8-4-5-12(7-8)11(14)15/h8-10,13H,1-7H2,(H,14,15)
InChIKeyTWGOJXTUWVIDDW-UHFFFAOYSA-N
XLogP1.54
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutyl-2-hydroxyethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(2-cyclobutyl-2-hydroxyethyl)pyrrolidine-1-carboxylic acid (CID 66734279) is 3-(2-cyclobutyl-2-hydroxyethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(2-cyclobutyl-2-hydroxyethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(2-cyclobutyl-2-hydroxyethyl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCC(CC(O)C2CCC2)C1.
What is the InChIKey of 3-(2-cyclobutyl-2-hydroxyethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is TWGOJXTUWVIDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-10(9-2-1-3-9)6-8-4-5-12(7-8)11(14)15/h8-10,13H,1-7H2,(H,14,15).
What are the key properties of 3-(2-cyclobutyl-2-hydroxyethyl)pyrrolidine-1-carboxylic acid?
3-(2-cyclobutyl-2-hydroxyethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutyl-2-hydroxyethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 66734279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).