(3-ethyl-3-hydroxyazetidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone

C10H18N2O2 — CID 107219512

IUPAC(3-ethyl-3-hydroxyazetidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
SMILESCCC1(O)CN(C(=O)[C@H]2CCCN2)C1
InChIInChI=1S/C10H18N2O2/c1-2-10(14)6-12(7-10)9(13)8-4-3-5-11-8/h8,11,14H,2-7H2,1H3/t8-/m1/s1
InChIKeyNTVQOSATHJADAE-MRVPVSSYSA-N
MW198.27 g/mol
LogP-0.28
Rot. Bonds2

About (3-ethyl-3-hydroxyazetidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone

(3-ethyl-3-hydroxyazetidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 107219512) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (3-ethyl-3-hydroxyazetidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-3-hydroxyazetidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID107219512
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(3-ethyl-3-hydroxyazetidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
SMILESCCC1(O)CN(C(=O)[C@H]2CCCN2)C1
InChIInChI=1S/C10H18N2O2/c1-2-10(14)6-12(7-10)9(13)8-4-3-5-11-8/h8,11,14H,2-7H2,1H3/t8-/m1/s1
InChIKeyNTVQOSATHJADAE-MRVPVSSYSA-N
XLogP-0.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-3-hydroxyazetidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 107219702
(3-ethyl-3-hydroxyazetidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 107219562
(3-hydroxy-3-propan-2-ylazetidin-1-yl)-piperidin-2-ylmethanone
CID 107220195
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238
(3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 129362673
(4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 94372824
(3-ethyl-3-hydroxyazetidin-1-yl)-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 107219578
3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 104901135
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 63138206
1-(azepane-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 64570144

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-3-hydroxyazetidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of (3-ethyl-3-hydroxyazetidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone (CID 107219512) is (3-ethyl-3-hydroxyazetidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for (3-ethyl-3-hydroxyazetidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for (3-ethyl-3-hydroxyazetidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone is CCC1(O)CN(C(=O)[C@H]2CCCN2)C1.
What is the InChIKey of (3-ethyl-3-hydroxyazetidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is NTVQOSATHJADAE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-10(14)6-12(7-10)9(13)8-4-3-5-11-8/h8,11,14H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (3-ethyl-3-hydroxyazetidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
(3-ethyl-3-hydroxyazetidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 198.27 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-3-hydroxyazetidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 107219512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).