1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid

C14H25NO3 — CID 65162258

IUPAC1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCC2CCCO2)C1
InChIInChI=1S/C14H25NO3/c1-2-6-14(13(16)17)7-9-15(11-14)8-5-12-4-3-10-18-12/h12H,2-11H2,1H3,(H,16,17)
InChIKeyFAPFPCQGXCIAOD-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds6

About 1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid

1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 65162258) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID65162258
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCC2CCCO2)C1
InChIInChI=1S/C14H25NO3/c1-2-6-14(13(16)17)7-9-15(11-14)8-5-12-4-3-10-18-12/h12H,2-11H2,1H3,(H,16,17)
InChIKeyFAPFPCQGXCIAOD-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(oxolan-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978881
1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 63135781
1-(oxolan-2-ylmethylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
CID 63126704
3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
CID 63140519
1-[(4-propan-2-ylmorpholin-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 64532551
1-(oxepan-4-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65080564
1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65069095
1-(4-methylsulfanylbutyl)-3-propylpyrrolidine-3-carboxylic acid
CID 103090450
1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63152515
1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid
CID 103410884
1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 63140989
3-ethyl-1-[2-(oxolan-2-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 65157138

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid (CID 65162258) is 1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(CCC2CCCO2)C1.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is FAPFPCQGXCIAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-6-14(13(16)17)7-9-15(11-14)8-5-12-4-3-10-18-12/h12H,2-11H2,1H3,(H,16,17).
What are the key properties of 1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65162258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).