(3-hydroxy-3-propan-2-ylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone

C12H22N2O3 — CID 107220116

IUPAC(3-hydroxy-3-propan-2-ylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOC1CNC(C(=O)N2CC(O)(C(C)C)C2)C1
InChIInChI=1S/C12H22N2O3/c1-8(2)12(16)6-14(7-12)11(15)10-4-9(17-3)5-13-10/h8-10,13,16H,4-7H2,1-3H3
InChIKeyPBOBYSJFNZNALD-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.41
Rot. Bonds3

About (3-hydroxy-3-propan-2-ylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone

(3-hydroxy-3-propan-2-ylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone (PubChem CID 107220116) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (3-hydroxy-3-propan-2-ylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-propan-2-ylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
PubChem CID107220116
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(3-hydroxy-3-propan-2-ylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOC1CNC(C(=O)N2CC(O)(C(C)C)C2)C1
InChIInChI=1S/C12H22N2O3/c1-8(2)12(16)6-14(7-12)11(15)10-4-9(17-3)5-13-10/h8-10,13,16H,4-7H2,1-3H3
InChIKeyPBOBYSJFNZNALD-UHFFFAOYSA-N
XLogP-0.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-3-propylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 107219851
(4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112703596
(2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone
CID 128980849
1-[4-(4-methoxypyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 55003223
N-[1-(4-methoxypyrrolidine-2-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 61214062
1-(4-methoxypyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 61214955
(4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107220216
(3-hydroxy-3-propan-2-ylazetidin-1-yl)-piperidin-2-ylmethanone
CID 107220195
(4-ethylpiperidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 61213634
(4-methoxypyrrolidin-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 61215241
propan-2-yl 4-methoxypyrrolidine-2-carboxylate
CID 43628494
1-(4-methoxypyrrolidine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125553

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-propan-2-ylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The IUPAC name of (3-hydroxy-3-propan-2-ylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone (CID 107220116) is (3-hydroxy-3-propan-2-ylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone.
What is the SMILES notation for (3-hydroxy-3-propan-2-ylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The canonical SMILES for (3-hydroxy-3-propan-2-ylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone is COC1CNC(C(=O)N2CC(O)(C(C)C)C2)C1.
What is the InChIKey of (3-hydroxy-3-propan-2-ylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The InChIKey is PBOBYSJFNZNALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)12(16)6-14(7-12)11(15)10-4-9(17-3)5-13-10/h8-10,13,16H,4-7H2,1-3H3.
What are the key properties of (3-hydroxy-3-propan-2-ylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone?
(3-hydroxy-3-propan-2-ylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone has a molecular weight of 242.32 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-propan-2-ylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 107220116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).