(3-hydroxy-3-propylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone

C12H22N2O3 — CID 107219851

IUPAC(3-hydroxy-3-propylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCCCC1(O)CN(C(=O)C2CC(OC)CN2)C1
InChIInChI=1S/C12H22N2O3/c1-3-4-12(16)7-14(8-12)11(15)10-5-9(17-2)6-13-10/h9-10,13,16H,3-8H2,1-2H3
InChIKeyRDDCWJYYDHAGGD-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.26
Rot. Bonds4

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

(3-hydroxy-3-propylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone (PubChem CID 107219851) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (3-hydroxy-3-propylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-propylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
PubChem CID107219851
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(3-hydroxy-3-propylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCCCC1(O)CN(C(=O)C2CC(OC)CN2)C1
InChIInChI=1S/C12H22N2O3/c1-3-4-12(16)7-14(8-12)11(15)10-5-9(17-2)6-13-10/h9-10,13,16H,3-8H2,1-2H3
InChIKeyRDDCWJYYDHAGGD-UHFFFAOYSA-N
XLogP-0.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-3-propylazetidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 107219771
1-(4-methoxypyrrolidine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125553
(3-hydroxy-3-propan-2-ylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 107220116
(4-ethylpiperidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 61213634
(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
1-(4-methoxypyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 61214955
(4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112703596
2-(dimethylamino)-1-[4-(4-methoxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 61214799
(3,3-dimethylpiperidin-2-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 114084354
ethyl 4-methoxypyrrolidine-2-carboxylate
CID 43119085
1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918579

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-propylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The IUPAC name of (3-hydroxy-3-propylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone (CID 107219851) is (3-hydroxy-3-propylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone.
What is the SMILES notation for (3-hydroxy-3-propylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The canonical SMILES for (3-hydroxy-3-propylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone is CCCC1(O)CN(C(=O)C2CC(OC)CN2)C1.
What is the InChIKey of (3-hydroxy-3-propylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The InChIKey is RDDCWJYYDHAGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-4-12(16)7-14(8-12)11(15)10-5-9(17-2)6-13-10/h9-10,13,16H,3-8H2,1-2H3.
What are the key properties of (3-hydroxy-3-propylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone?
(3-hydroxy-3-propylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone has a molecular weight of 242.32 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-propylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 107219851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).