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

C14H25NO3 — CID 106978881

IUPAC1-[2-(oxolan-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1CCC1CCCO1
InChIInChI=1S/C14H25NO3/c1-2-7-14(13(16)17)8-4-9-15(14)10-6-12-5-3-11-18-12/h12H,2-11H2,1H3,(H,16,17)
InChIKeyGLEKVUXUPWHZMW-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.27
Rot. Bonds6

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

1-[2-(oxolan-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978881) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978881
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-[2-(oxolan-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1CCC1CCCO1
InChIInChI=1S/C14H25NO3/c1-2-7-14(13(16)17)8-4-9-15(14)10-6-12-5-3-11-18-12/h12H,2-11H2,1H3,(H,16,17)
InChIKeyGLEKVUXUPWHZMW-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65162258
1-(2-ethylsulfanylethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979017
1-(3-methylbut-2-enyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978657
1-[3-(methylcarbamoylamino)-3-oxopropyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978985
1-[(3-methylcyclohexyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979297
1-[2-oxo-2-(propan-2-ylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978783
1-(2,3-dichloroprop-2-enyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978685
1-(3-chloro-2-methylprop-2-enyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106439339
1-(oxolan-2-ylmethylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
CID 63126704
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978676
2-ethyl-1-octylpyrrolidine-2-carboxylic acid
CID 83079650
1-decyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83080199

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106978881) is 1-[2-(oxolan-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1CCC1CCCO1.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is GLEKVUXUPWHZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-7-14(13(16)17)8-4-9-15(14)10-6-12-5-3-11-18-12/h12H,2-11H2,1H3,(H,16,17).
What are the key properties of 1-[2-(oxolan-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[2-(oxolan-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.27, 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]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).