1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid

C13H23NO3 — CID 65069095

IUPAC1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2CCCOC2)C1
InChIInChI=1S/C13H23NO3/c1-2-5-13(12(15)16)6-7-14(10-13)11-4-3-8-17-9-11/h11H,2-10H2,1H3,(H,15,16)
InChIKeyDDXBSWIAFUGRLO-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds4

About 1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid

1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 65069095) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID65069095
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2CCCOC2)C1
InChIInChI=1S/C13H23NO3/c1-2-5-13(12(15)16)6-7-14(10-13)11-4-3-8-17-9-11/h11H,2-10H2,1H3,(H,15,16)
InChIKeyDDXBSWIAFUGRLO-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(oxepan-4-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65080564
1-cycloheptyl-3-propylpiperidine-3-carboxylic acid
CID 65068602
1-(3-methylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068943
1-(3-methyloxan-4-yl)-3-propylpiperidine-3-carboxylic acid
CID 114240734
3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
CID 65069192
1-(oxan-3-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 63361782
1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 55165781
1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
CID 65069083
1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65162258
1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068564
3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid
CID 63936052
1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid
CID 64747380

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid (CID 65069095) is 1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C2CCCOC2)C1.
What is the InChIKey of 1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is DDXBSWIAFUGRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-5-13(12(15)16)6-7-14(10-13)11-4-3-8-17-9-11/h11H,2-10H2,1H3,(H,15,16).
What are the key properties of 1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid?
1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65069095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).