1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid

C13H21NO4 — CID 103161885

IUPAC1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCCOC1CC(CC(=O)N2CCC(C(=O)O)C2)C1
InChIInChI=1S/C13H21NO4/c1-2-18-11-5-9(6-11)7-12(15)14-4-3-10(8-14)13(16)17/h9-11H,2-8H2,1H3,(H,16,17)
InChIKeyRVFVPVIDBAOXJN-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.12
Rot. Bonds5

About 1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid

1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 103161885) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID103161885
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCCOC1CC(CC(=O)N2CCC(C(=O)O)C2)C1
InChIInChI=1S/C13H21NO4/c1-2-18-11-5-9(6-11)7-12(15)14-4-3-10(8-14)13(16)17/h9-11H,2-8H2,1H3,(H,16,17)
InChIKeyRVFVPVIDBAOXJN-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloropyrrolidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103166618
2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone
CID 103164590
1-(2-cyclopropylacetyl)pyrrolidine-3-carboxylic acid
CID 63007289
1-[(3-ethoxycyclobutyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114120212
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103165089
1-[2-(4,4-dimethylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid
CID 120533851
2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161328
2-(3-ethoxycyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103164675
1-[3-(chloromethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
CID 103166602
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
CID 103164939
2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 103162209
1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103166996

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid (CID 103161885) is 1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid is CCOC1CC(CC(=O)N2CCC(C(=O)O)C2)C1.
What is the InChIKey of 1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RVFVPVIDBAOXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-2-18-11-5-9(6-11)7-12(15)14-4-3-10(8-14)13(16)17/h9-11H,2-8H2,1H3,(H,16,17).
What are the key properties of 1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid?
1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 103161885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).