(2R)-1-(azetidin-1-yl)-2-hydroxy-4,4-dimethylpentan-1-one

C10H19NO2 — CID 22975031

IUPAC(2R)-1-(azetidin-1-yl)-2-hydroxy-4,4-dimethylpentan-1-one
SMILESCC(C)(C)C[C@@H](O)C(=O)N1CCC1
InChIInChI=1S/C10H19NO2/c1-10(2,3)7-8(12)9(13)11-5-4-6-11/h8,12H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyVJPKWFDUNGBQIY-MRVPVSSYSA-N
MW185.27 g/mol
LogP1.02
Rot. Bonds2

About (2R)-1-(azetidin-1-yl)-2-hydroxy-4,4-dimethylpentan-1-one

(2R)-1-(azetidin-1-yl)-2-hydroxy-4,4-dimethylpentan-1-one (PubChem CID 22975031) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2R)-1-(azetidin-1-yl)-2-hydroxy-4,4-dimethylpentan-1-one.

Molecular Properties

Compound Name(2R)-1-(azetidin-1-yl)-2-hydroxy-4,4-dimethylpentan-1-one
PubChem CID22975031
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2R)-1-(azetidin-1-yl)-2-hydroxy-4,4-dimethylpentan-1-one
SMILESCC(C)(C)C[C@@H](O)C(=O)N1CCC1
InChIInChI=1S/C10H19NO2/c1-10(2,3)7-8(12)9(13)11-5-4-6-11/h8,12H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyVJPKWFDUNGBQIY-MRVPVSSYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
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)-2-hydroxy-4,4-dimethylpentan-1-one?
The IUPAC name of (2R)-1-(azetidin-1-yl)-2-hydroxy-4,4-dimethylpentan-1-one (CID 22975031) is (2R)-1-(azetidin-1-yl)-2-hydroxy-4,4-dimethylpentan-1-one.
What is the SMILES notation for (2R)-1-(azetidin-1-yl)-2-hydroxy-4,4-dimethylpentan-1-one?
The canonical SMILES for (2R)-1-(azetidin-1-yl)-2-hydroxy-4,4-dimethylpentan-1-one is CC(C)(C)C[C@@H](O)C(=O)N1CCC1.
What is the InChIKey of (2R)-1-(azetidin-1-yl)-2-hydroxy-4,4-dimethylpentan-1-one?
The InChIKey is VJPKWFDUNGBQIY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)7-8(12)9(13)11-5-4-6-11/h8,12H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-1-(azetidin-1-yl)-2-hydroxy-4,4-dimethylpentan-1-one?
(2R)-1-(azetidin-1-yl)-2-hydroxy-4,4-dimethylpentan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.02, 2 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)-2-hydroxy-4,4-dimethylpentan-1-one is sourced from PubChem (CID 22975031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).