(3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one

C12H15NO2 — CID 10104396

IUPAC(3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one
SMILESC[C@@H]1C(=O)N(OCc2ccccc2)[C@@H]1C
InChIInChI=1S/C12H15NO2/c1-9-10(2)13(12(9)14)15-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3/t9-,10+/m0/s1
InChIKeyFPTZTSKOBGQGJR-VHSXEESVSA-N
MW205.26 g/mol
LogP1.99
Rot. Bonds3

About (3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one

(3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one (PubChem CID 10104396) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one
PubChem CID10104396
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one
SMILESC[C@@H]1C(=O)N(OCc2ccccc2)[C@@H]1C
InChIInChI=1S/C12H15NO2/c1-9-10(2)13(12(9)14)15-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3/t9-,10+/m0/s1
InChIKeyFPTZTSKOBGQGJR-VHSXEESVSA-N
XLogP1.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-methyl-1-phenylmethoxyazetidin-2-one
CID 16752815
5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one
CID 141490846
5-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione
CID 14198894
(4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one
CID 131848700
(4R)-1-butyl-4-methyl-3-phenylmethoxyimidazolidin-2-one
CID 134374848
(2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid
CID 89169658
(3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one
CID 131201426
5-bromo-1-phenylmethoxypyrrolidin-2-one
CID 22495511
(1S,4S,5R)-4-chloro-2-phenylmethoxy-8-oxa-2-azabicyclo[3.2.1]oct-6-en-3-one
CID 89114116
benzyl 2-[(2S,3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]oxyacetate;2,2,2-trifluoroacetic acid
CID 131716455
3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one
CID 23052513
3-diethoxyphosphoryl-5-hydroxy-1-phenylmethoxypyrrolidin-2-one
CID 75983023

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one?
The IUPAC name of (3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one (CID 10104396) is (3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one is C[C@@H]1C(=O)N(OCc2ccccc2)[C@@H]1C.
What is the InChIKey of (3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one?
The InChIKey is FPTZTSKOBGQGJR-VHSXEESVSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-10(2)13(12(9)14)15-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one?
(3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 10104396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).