[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone

C13H23NO3 — CID 97246480

IUPAC[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
SMILESCOCCC1(C(=O)N2CC[C@@H](CO)C2)CCC1
InChIInChI=1S/C13H23NO3/c1-17-8-6-13(4-2-5-13)12(16)14-7-3-11(9-14)10-15/h11,15H,2-10H2,1H3/t11-/m1/s1
InChIKeyGEFKWBFTYHKTAK-LLVKDONJSA-N
MW241.33 g/mol
LogP1.03
Rot. Bonds5

About [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone

[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone (PubChem CID 97246480) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
PubChem CID97246480
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
SMILESCOCCC1(C(=O)N2CC[C@@H](CO)C2)CCC1
InChIInChI=1S/C13H23NO3/c1-17-8-6-13(4-2-5-13)12(16)14-7-3-11(9-14)10-15/h11,15H,2-10H2,1H3/t11-/m1/s1
InChIKeyGEFKWBFTYHKTAK-LLVKDONJSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 119412473
(3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124685754
(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride
CID 119375948
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride
CID 119638368
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone
CID 119638958
[1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546537
1-[1-(2-methoxyethyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 102553827
[1-(2-methoxyethyl)cyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563582
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone
CID 112625019
[(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 119412481
[(3S)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 119934487
(2S)-4-[1-(2-methoxyethyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 125149728

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone?
The IUPAC name of [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone (CID 97246480) is [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone.
What is the SMILES notation for [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone?
The canonical SMILES for [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone is COCCC1(C(=O)N2CC[C@@H](CO)C2)CCC1.
What is the InChIKey of [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone?
The InChIKey is GEFKWBFTYHKTAK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23NO3/c1-17-8-6-13(4-2-5-13)12(16)14-7-3-11(9-14)10-15/h11,15H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone?
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone has a molecular weight of 241.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone is sourced from PubChem (CID 97246480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).