1-(3-ethoxycyclobutyl)-3-ethylpyrrolidine-3-carboxylic acid

C13H23NO3 — CID 106824358

IUPAC1-(3-ethoxycyclobutyl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCOC1CC(N2CCC(CC)(C(=O)O)C2)C1
InChIInChI=1S/C13H23NO3/c1-3-13(12(15)16)5-6-14(9-13)10-7-11(8-10)17-4-2/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyFBFLPWOSHAKBPZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds5

About 1-(3-ethoxycyclobutyl)-3-ethylpyrrolidine-3-carboxylic acid

1-(3-ethoxycyclobutyl)-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 106824358) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID106824358
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-(3-ethoxycyclobutyl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCOC1CC(N2CCC(CC)(C(=O)O)C2)C1
InChIInChI=1S/C13H23NO3/c1-3-13(12(15)16)5-6-14(9-13)10-7-11(8-10)17-4-2/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyFBFLPWOSHAKBPZ-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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Related Compounds

1-(2-ethoxyethyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63148735
1-(2,4-dimethylcyclohexyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 65064235
1-(1,1-dioxothian-3-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 65064274
1-cyclopentyl-4-ethylpiperidine-4-carboxylic acid
CID 63126612
3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid
CID 64747777
3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 55222175
1-(3-methylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068943
3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid
CID 63936052
1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65069095
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid
CID 65076489
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid
CID 65065214

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-ethoxycyclobutyl)-3-ethylpyrrolidine-3-carboxylic acid (CID 106824358) is 1-(3-ethoxycyclobutyl)-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-3-ethylpyrrolidine-3-carboxylic acid is CCOC1CC(N2CCC(CC)(C(=O)O)C2)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is FBFLPWOSHAKBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-13(12(15)16)5-6-14(9-13)10-7-11(8-10)17-4-2/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 1-(3-ethoxycyclobutyl)-3-ethylpyrrolidine-3-carboxylic acid?
1-(3-ethoxycyclobutyl)-3-ethylpyrrolidine-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-(3-ethoxycyclobutyl)-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106824358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).