(2R)-1-(azetidin-1-yl)-3-cyclopropyl-2-hydroxy-3-methylbutan-1-one

C11H19NO2 — CID 22975015

IUPAC(2R)-1-(azetidin-1-yl)-3-cyclopropyl-2-hydroxy-3-methylbutan-1-one
SMILESCC(C)(C1CC1)[C@@H](O)C(=O)N1CCC1
InChIInChI=1S/C11H19NO2/c1-11(2,8-4-5-8)9(13)10(14)12-6-3-7-12/h8-9,13H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyDYBYSPSLWPQGSL-VIFPVBQESA-N
MW197.28 g/mol
LogP1.02
Rot. Bonds3

About (2R)-1-(azetidin-1-yl)-3-cyclopropyl-2-hydroxy-3-methylbutan-1-one

(2R)-1-(azetidin-1-yl)-3-cyclopropyl-2-hydroxy-3-methylbutan-1-one (PubChem CID 22975015) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2R)-1-(azetidin-1-yl)-3-cyclopropyl-2-hydroxy-3-methylbutan-1-one.

Molecular Properties

Compound Name(2R)-1-(azetidin-1-yl)-3-cyclopropyl-2-hydroxy-3-methylbutan-1-one
PubChem CID22975015
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2R)-1-(azetidin-1-yl)-3-cyclopropyl-2-hydroxy-3-methylbutan-1-one
SMILESCC(C)(C1CC1)[C@@H](O)C(=O)N1CCC1
InChIInChI=1S/C11H19NO2/c1-11(2,8-4-5-8)9(13)10(14)12-6-3-7-12/h8-9,13H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyDYBYSPSLWPQGSL-VIFPVBQESA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(azetidin-1-yl)-3-cyclopropyl-2-hydroxy-3-methylbutan-1-one?
The IUPAC name of (2R)-1-(azetidin-1-yl)-3-cyclopropyl-2-hydroxy-3-methylbutan-1-one (CID 22975015) is (2R)-1-(azetidin-1-yl)-3-cyclopropyl-2-hydroxy-3-methylbutan-1-one.
What is the SMILES notation for (2R)-1-(azetidin-1-yl)-3-cyclopropyl-2-hydroxy-3-methylbutan-1-one?
The canonical SMILES for (2R)-1-(azetidin-1-yl)-3-cyclopropyl-2-hydroxy-3-methylbutan-1-one is CC(C)(C1CC1)[C@@H](O)C(=O)N1CCC1.
What is the InChIKey of (2R)-1-(azetidin-1-yl)-3-cyclopropyl-2-hydroxy-3-methylbutan-1-one?
The InChIKey is DYBYSPSLWPQGSL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,8-4-5-8)9(13)10(14)12-6-3-7-12/h8-9,13H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2R)-1-(azetidin-1-yl)-3-cyclopropyl-2-hydroxy-3-methylbutan-1-one?
(2R)-1-(azetidin-1-yl)-3-cyclopropyl-2-hydroxy-3-methylbutan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(azetidin-1-yl)-3-cyclopropyl-2-hydroxy-3-methylbutan-1-one is sourced from PubChem (CID 22975015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).