(3R,4S)-4-(hydroxymethyl)-3-phenylmethoxyazetidin-2-one

C11H13NO3 — CID 23634959

IUPAC(3R,4S)-4-(hydroxymethyl)-3-phenylmethoxyazetidin-2-one
SMILESO=C1N[C@@H](CO)[C@H]1OCc1ccccc1
InChIInChI=1S/C11H13NO3/c13-6-9-10(11(14)12-9)15-7-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H,12,14)/t9-,10+/m0/s1
InChIKeyRSHYAACSBKACRQ-VHSXEESVSA-N
MW207.23 g/mol
LogP0.06
Rot. Bonds4

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

(3R,4S)-4-(hydroxymethyl)-3-phenylmethoxyazetidin-2-one (PubChem CID 23634959) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (3R,4S)-4-(hydroxymethyl)-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(hydroxymethyl)-3-phenylmethoxyazetidin-2-one
PubChem CID23634959
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(3R,4S)-4-(hydroxymethyl)-3-phenylmethoxyazetidin-2-one
SMILESO=C1N[C@@H](CO)[C@H]1OCc1ccccc1
InChIInChI=1S/C11H13NO3/c13-6-9-10(11(14)12-9)15-7-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H,12,14)/t9-,10+/m0/s1
InChIKeyRSHYAACSBKACRQ-VHSXEESVSA-N
XLogP0.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxycyclohexyl)-4-phenylmethoxybutanamide
CID 49371527
Benzyl 4-oxo-2-azetidinecarboxylate
CID 2808534
(3S)-N-ethyl-3-(hydroxymethyl)-4-phenylmethoxybutanamide
CID 44313648
Benzyl (2S)-4-oxoazetidine-2-carboxylate
CID 717310
(3R,4S)-3-phenylmethoxy-1-propan-2-yl-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]azetidin-2-one
CID 139095407
3-Benzyloxy-2-azetidinone
CID 54153035
(3R,4R)-4-(1,1-difluoroethyl)-3-phenylmethoxyazetidin-2-one
CID 57784712
(3R,4R)-3-(Benzyloxy)-4-(fluoromethyl)-2-azetidinone
CID 57784849
(3R,4R)-4-(fluoromethyl)-3-methyl-3-phenylmethoxyazetidin-2-one
CID 57784888
(3R,4R)-3-(Benzyloxy)-4-[(1S)-1-fluoroethyl]-3-methyl-2-azetidinone
CID 57785014
4-(1,1-Difluoroethyl)-3-phenylmethoxyazetidin-2-one
CID 68945030
(3S,4S)-4-(1,1-difluoroethyl)-3-phenylmethoxyazetidin-2-one
CID 68945032

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(hydroxymethyl)-3-phenylmethoxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-(hydroxymethyl)-3-phenylmethoxyazetidin-2-one (CID 23634959) is (3R,4S)-4-(hydroxymethyl)-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(hydroxymethyl)-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-(hydroxymethyl)-3-phenylmethoxyazetidin-2-one is O=C1N[C@@H](CO)[C@H]1OCc1ccccc1.
What is the InChIKey of (3R,4S)-4-(hydroxymethyl)-3-phenylmethoxyazetidin-2-one?
The InChIKey is RSHYAACSBKACRQ-VHSXEESVSA-N. The full InChI is InChI=1S/C11H13NO3/c13-6-9-10(11(14)12-9)15-7-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H,12,14)/t9-,10+/m0/s1.
What are the key properties of (3R,4S)-4-(hydroxymethyl)-3-phenylmethoxyazetidin-2-one?
(3R,4S)-4-(hydroxymethyl)-3-phenylmethoxyazetidin-2-one has a molecular weight of 207.23 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(hydroxymethyl)-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 23634959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).