(3S,4S)-4-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxyazetidin-2-one

C18H23NO6 — CID 10712765

IUPAC(3S,4S)-4-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxyazetidin-2-one
SMILESCO[C@@H]1O[C@H]([C@@H]2[C@H](O)C(=O)N2Cc2ccccc2)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C18H23NO6/c1-18(2)24-14-13(23-17(22-3)15(14)25-18)11-12(20)16(21)19(11)9-10-7-5-4-6-8-10/h4-8,11-15,17,20H,9H2,1-3H3/t11-,12-,13+,14+,15+,17+/m0/s1
InChIKeyMIFWGMCFLKWMSW-IJPNJANYSA-N
MW349.38 g/mol
LogP0.65
Rot. Bonds4

About (3S,4S)-4-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxyazetidin-2-one

(3S,4S)-4-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxyazetidin-2-one (PubChem CID 10712765) has the molecular formula C18H23NO6 and a molecular weight of 349.38 g/mol. Its IUPAC name is (3S,4S)-4-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxyazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxyazetidin-2-one
PubChem CID10712765
Molecular FormulaC18H23NO6
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Name(3S,4S)-4-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxyazetidin-2-one
SMILESCO[C@@H]1O[C@H]([C@@H]2[C@H](O)C(=O)N2Cc2ccccc2)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C18H23NO6/c1-18(2)24-14-13(23-17(22-3)15(14)25-18)11-12(20)16(21)19(11)9-10-7-5-4-6-8-10/h4-8,11-15,17,20H,9H2,1-3H3/t11-,12-,13+,14+,15+,17+/m0/s1
InChIKeyMIFWGMCFLKWMSW-IJPNJANYSA-N
XLogP0.65
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,4S)-4-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxyazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5R)-5-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxypyrrolidin-2-one
CID 102355012
(3R,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one
CID 10912813
(3S,4R)-1-benzyl-3-phenylmethoxy-4-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]azetidin-2-one
CID 10720041
(3S,4S,5S,6R)-6-[(3aS,4R,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3,4-bis(phenylmethoxy)-1-azabicyclo[3.2.0]heptan-7-one
CID 56838994
(1S,3R,5R,6R)-7-benzyl-3,5-dihydroxy-3-methyl-2-oxa-7-azabicyclo[4.2.0]octan-8-one
CID 102040133
4-benzyl-3-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-1,2,4-triazole
CID 22992065
(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-6-(phenylmethoxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 22887291
3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-benzyl-1H-1,2,4-triazole-5-thione
CID 59094532
benzyl N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbonyl)amino]carbamate
CID 22992070
(3aR,4R,6S,6aS)-5-benzyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 10869050
(1R)-1-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-phenylmethoxyethanol
CID 100964347
(2R)-2-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-phenylmethoxyethanol
CID 10892681

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxyazetidin-2-one?
The IUPAC name of (3S,4S)-4-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxyazetidin-2-one (CID 10712765) is (3S,4S)-4-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxyazetidin-2-one.
What is the SMILES notation for (3S,4S)-4-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxyazetidin-2-one?
The canonical SMILES for (3S,4S)-4-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxyazetidin-2-one is CO[C@@H]1O[C@H]([C@@H]2[C@H](O)C(=O)N2Cc2ccccc2)[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of (3S,4S)-4-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxyazetidin-2-one?
The InChIKey is MIFWGMCFLKWMSW-IJPNJANYSA-N. The full InChI is InChI=1S/C18H23NO6/c1-18(2)24-14-13(23-17(22-3)15(14)25-18)11-12(20)16(21)19(11)9-10-7-5-4-6-8-10/h4-8,11-15,17,20H,9H2,1-3H3/t11-,12-,13+,14+,15+,17+/m0/s1.
What are the key properties of (3S,4S)-4-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxyazetidin-2-one?
(3S,4S)-4-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxyazetidin-2-one has a molecular weight of 349.38 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxyazetidin-2-one is sourced from PubChem (CID 10712765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).