3-cyclobutyloxy-1-methylpyrrolidine-3-carboxylic acid

C10H17NO3 — CID 84668946

IUPAC3-cyclobutyloxy-1-methylpyrrolidine-3-carboxylic acid
SMILESCN1CCC(OC2CCC2)(C(=O)O)C1
InChIInChI=1S/C10H17NO3/c1-11-6-5-10(7-11,9(12)13)14-8-3-2-4-8/h8H,2-7H2,1H3,(H,12,13)
InChIKeyROXXBRQTWPEFTL-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.71
Rot. Bonds3

About 3-cyclobutyloxy-1-methylpyrrolidine-3-carboxylic acid

3-cyclobutyloxy-1-methylpyrrolidine-3-carboxylic acid (PubChem CID 84668946) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-cyclobutyloxy-1-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-cyclobutyloxy-1-methylpyrrolidine-3-carboxylic acid
PubChem CID84668946
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-cyclobutyloxy-1-methylpyrrolidine-3-carboxylic acid
SMILESCN1CCC(OC2CCC2)(C(=O)O)C1
InChIInChI=1S/C10H17NO3/c1-11-6-5-10(7-11,9(12)13)14-8-3-2-4-8/h8H,2-7H2,1H3,(H,12,13)
InChIKeyROXXBRQTWPEFTL-UHFFFAOYSA-N
XLogP0.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyloxy-1-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-cyclobutyloxy-1-methylpyrrolidine-3-carboxylic acid (CID 84668946) is 3-cyclobutyloxy-1-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-cyclobutyloxy-1-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-cyclobutyloxy-1-methylpyrrolidine-3-carboxylic acid is CN1CCC(OC2CCC2)(C(=O)O)C1.
What is the InChIKey of 3-cyclobutyloxy-1-methylpyrrolidine-3-carboxylic acid?
The InChIKey is ROXXBRQTWPEFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-11-6-5-10(7-11,9(12)13)14-8-3-2-4-8/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-cyclobutyloxy-1-methylpyrrolidine-3-carboxylic acid?
3-cyclobutyloxy-1-methylpyrrolidine-3-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyloxy-1-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 84668946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).