(3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone

C9H16N2O2 — CID 129362673

IUPAC(3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
SMILESCOC1CN(C(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C9H16N2O2/c1-13-7-5-11(6-7)9(12)8-3-2-4-10-8/h7-8,10H,2-6H2,1H3/t8-/m0/s1
InChIKeyPOOIYJTZBFULCI-QMMMGPOBSA-N
MW184.24 g/mol
LogP-0.40
Rot. Bonds2

About (3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone

(3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 129362673) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID129362673
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
SMILESCOC1CN(C(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C9H16N2O2/c1-13-7-5-11(6-7)9(12)8-3-2-4-10-8/h7-8,10H,2-6H2,1H3/t8-/m0/s1
InChIKeyPOOIYJTZBFULCI-QMMMGPOBSA-N
XLogP-0.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129414461
[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129414458
(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone
CID 121202218
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119326390
4-methoxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 61159406
[3-(methoxymethyl)-4-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 155905940
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(3-hydroxyazetidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 107217589
(3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 107217621
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl(piperidin-2-yl)methanone
CID 119326244
(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone
CID 121202172

Frequently Asked Questions

What is the IUPAC name of (3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of (3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone (CID 129362673) is (3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for (3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for (3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone is COC1CN(C(=O)[C@@H]2CCCN2)C1.
What is the InChIKey of (3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is POOIYJTZBFULCI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-13-7-5-11(6-7)9(12)8-3-2-4-10-8/h7-8,10H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of (3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone?
(3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 184.24 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 129362673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).