(3-hydroxyazetidin-1-yl)-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone

C12H22N2O2 — CID 118444533

IUPAC(3-hydroxyazetidin-1-yl)-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
SMILESCC(C)[C@]1(C)CCN(C(=O)N2CC(O)C2)C1
InChIInChI=1S/C12H22N2O2/c1-9(2)12(3)4-5-13(8-12)11(16)14-6-10(15)7-14/h9-10,15H,4-8H2,1-3H3/t12-/m1/s1
InChIKeyNXAVKHDHCGHNBS-GFCCVEGCSA-N
MW226.32 g/mol
LogP1.15
Rot. Bonds1

About (3-hydroxyazetidin-1-yl)-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone

(3-hydroxyazetidin-1-yl)-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone (PubChem CID 118444533) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
PubChem CID118444533
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(3-hydroxyazetidin-1-yl)-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
SMILESCC(C)[C@]1(C)CCN(C(=O)N2CC(O)C2)C1
InChIInChI=1S/C12H22N2O2/c1-9(2)12(3)4-5-13(8-12)11(16)14-6-10(15)7-14/h9-10,15H,4-8H2,1-3H3/t12-/m1/s1
InChIKeyNXAVKHDHCGHNBS-GFCCVEGCSA-N
XLogP1.15
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 144942209
2-methyl-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444436
(2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444442
(2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 118444443
[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 118444545
(2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 118444601
1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166354
(3-fluoroazetidin-3-yl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 118444517
(5S)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 118444542
(5R)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 118444543
azetidin-3-ylmethyl (3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carboxylate
CID 118444576
bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 150880281

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone (CID 118444533) is (3-hydroxyazetidin-1-yl)-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone is CC(C)[C@]1(C)CCN(C(=O)N2CC(O)C2)C1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is NXAVKHDHCGHNBS-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)12(3)4-5-13(8-12)11(16)14-6-10(15)7-14/h9-10,15H,4-8H2,1-3H3/t12-/m1/s1.
What are the key properties of (3-hydroxyazetidin-1-yl)-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone?
(3-hydroxyazetidin-1-yl)-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 118444533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).