(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one

C15H19NO4 — CID 10107549

IUPAC(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one
SMILESCC1(C)OC[C@H]([C@@H]2NC(=O)[C@@H]2OCc2ccccc2)O1
InChIInChI=1S/C15H19NO4/c1-15(2)19-9-11(20-15)12-13(14(17)16-12)18-8-10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3,(H,16,17)/t11-,12+,13-/m1/s1
InChIKeyLUYRYTPDHIPFOT-FRRDWIJNSA-N
MW277.32 g/mol
LogP1.22
Rot. Bonds4

About (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one

(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one (PubChem CID 10107549) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one
PubChem CID10107549
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one
SMILESCC1(C)OC[C@H]([C@@H]2NC(=O)[C@@H]2OCc2ccccc2)O1
InChIInChI=1S/C15H19NO4/c1-15(2)19-9-11(20-15)12-13(14(17)16-12)18-8-10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3,(H,16,17)/t11-,12+,13-/m1/s1
InChIKeyLUYRYTPDHIPFOT-FRRDWIJNSA-N
XLogP1.22
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one with MolForge

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Related Compounds

(3R,4S)-4-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-3-[(1R)-1-fluoroethyl]-1-[methoxy(phenyl)methyl]azetidin-2-one
CID 67834540
(3R,4S)-3-phenylmethoxy-4-propan-2-ylazetidin-2-one
CID 11367993
(1S,2S,3R,8S)-3-methoxy-8-phenyl-9,11-dioxa-5-azatricyclo[6.2.1.02,5]undecan-4-one
CID 102308769
benzyl N-[(2S,3S,4R)-4-methoxy-2-(methoxymethyl)-5-oxooxolan-3-yl]carbamate
CID 134984765
Kqtovtusobdrnj-zmjpvwnmsa-
CID 23259043
Hihxpyraxsxcsn-noxhytersa-
CID 23259049
benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-3-yl]carbamate
CID 15058081
(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-sulfonic acid
CID 15058083
[(2R,3R)-3-ethyl-4-oxoazetidin-2-yl]methyl (2R)-2-methoxy-2-phenylacetate
CID 18642570
(3R,4S)-4-tert-butyl-3-phenylmethoxyazetidin-2-one
CID 20735664
4-Tert-butyl-3-phenylmethoxyazetidin-2-one
CID 22382240
sodium (2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-sulfonate
CID 23706504

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one (CID 10107549) is (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one is CC1(C)OC[C@H]([C@@H]2NC(=O)[C@@H]2OCc2ccccc2)O1.
What is the InChIKey of (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one?
The InChIKey is LUYRYTPDHIPFOT-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(2)19-9-11(20-15)12-13(14(17)16-12)18-8-10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3,(H,16,17)/t11-,12+,13-/m1/s1.
What are the key properties of (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one?
(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one has a molecular weight of 277.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 10107549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).