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

C12H22N2O2 — CID 119412473

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
SMILESCOCCC1(C(=O)N2CC[C@@H](N)C2)CCC1
InChIInChI=1S/C12H22N2O2/c1-16-8-6-12(4-2-5-12)11(15)14-7-3-10(13)9-14/h10H,2-9,13H2,1H3/t10-/m1/s1
InChIKeyGBEWKTCYSVCQFB-SNVBAGLBSA-N
MW226.32 g/mol
LogP0.75
Rot. Bonds4

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

[(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone (PubChem CID 119412473) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
PubChem CID119412473
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
SMILESCOCCC1(C(=O)N2CC[C@@H](N)C2)CCC1
InChIInChI=1S/C12H22N2O2/c1-16-8-6-12(4-2-5-12)11(15)14-7-3-10(13)9-14/h10H,2-9,13H2,1H3/t10-/m1/s1
InChIKeyGBEWKTCYSVCQFB-SNVBAGLBSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone (CID 119412473) is [(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone is COCCC1(C(=O)N2CC[C@@H](N)C2)CCC1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone?
The InChIKey is GBEWKTCYSVCQFB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-8-6-12(4-2-5-12)11(15)14-7-3-10(13)9-14/h10H,2-9,13H2,1H3/t10-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone is sourced from PubChem (CID 119412473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).