2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one

C11H20N2O2 — CID 107217840

IUPAC2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCC[C@@H]1CO)C1CNC1
InChIInChI=1S/C11H20N2O2/c1-8(9-5-12-6-9)11(15)13-4-2-3-10(13)7-14/h8-10,12,14H,2-7H2,1H3/t8?,10-/m1/s1
InChIKeyFHKSJFRYLQYNBF-LHIURRSHSA-N
MW212.29 g/mol
LogP-0.17
Rot. Bonds3

About 2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one

2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 107217840) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID107217840
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCC[C@@H]1CO)C1CNC1
InChIInChI=1S/C11H20N2O2/c1-8(9-5-12-6-9)11(15)13-4-2-3-10(13)7-14/h8-10,12,14H,2-7H2,1H3/t8?,10-/m1/s1
InChIKeyFHKSJFRYLQYNBF-LHIURRSHSA-N
XLogP-0.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107218055
2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 116674562
N-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 116676659
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 81482767
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 79013261
1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 116674954
2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 116674991
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 79029056
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 107217986
2,2-diamino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 126732263
1-[2-(azetidin-3-yl)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 116676326
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 61409806

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one (CID 107217840) is 2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one is CC(C(=O)N1CCC[C@@H]1CO)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is FHKSJFRYLQYNBF-LHIURRSHSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(9-5-12-6-9)11(15)13-4-2-3-10(13)7-14/h8-10,12,14H,2-7H2,1H3/t8?,10-/m1/s1.
What are the key properties of 2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one?
2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 212.29 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 107217840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).