1-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxylic acid

C13H23NO3 — CID 55165394

IUPAC1-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC2CCCO2)C1
InChIInChI=1S/C13H23NO3/c1-2-5-13(12(15)16)6-7-14(10-13)9-11-4-3-8-17-11/h11H,2-10H2,1H3,(H,15,16)
InChIKeyMMAZGOARDUAYCW-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds5

About 1-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxylic acid

1-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 55165394) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID55165394
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC2CCCO2)C1
InChIInChI=1S/C13H23NO3/c1-2-5-13(12(15)16)6-7-14(10-13)9-11-4-3-8-17-11/h11H,2-10H2,1H3,(H,15,16)
InChIKeyMMAZGOARDUAYCW-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxylic acid (CID 55165394) is 1-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(CC2CCCO2)C1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is MMAZGOARDUAYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-5-13(12(15)16)6-7-14(10-13)9-11-4-3-8-17-11/h11H,2-10H2,1H3,(H,15,16).
What are the key properties of 1-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55165394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).