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

C17H21NO4 — CID 10614390

IUPAC(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenoxy-1-prop-2-enylazetidin-2-one
SMILESC=CCN1C(=O)[C@H](Oc2ccccc2)[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C17H21NO4/c1-4-10-18-14(13-11-20-17(2,3)22-13)15(16(18)19)21-12-8-6-5-7-9-12/h4-9,13-15H,1,10-11H2,2-3H3/t13-,14+,15-/m1/s1
InChIKeyOYGZQQBXXPVLQB-QLFBSQMISA-N
MW303.36 g/mol
LogP1.98
Rot. Bonds5

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

(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenoxy-1-prop-2-enylazetidin-2-one (PubChem CID 10614390) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenoxy-1-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenoxy-1-prop-2-enylazetidin-2-one
PubChem CID10614390
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenoxy-1-prop-2-enylazetidin-2-one
SMILESC=CCN1C(=O)[C@H](Oc2ccccc2)[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C17H21NO4/c1-4-10-18-14(13-11-20-17(2,3)22-13)15(16(18)19)21-12-8-6-5-7-9-12/h4-9,13-15H,1,10-11H2,2-3H3/t13-,14+,15-/m1/s1
InChIKeyOYGZQQBXXPVLQB-QLFBSQMISA-N
XLogP1.98
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenoxy-1-prop-2-enylazetidin-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

[(2S,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate
CID 10871377
(3R,4S)-4-[(4-fluorophenoxy)methyl]-3-(methoxymethoxy)-1-(methoxymethyl)azetidin-2-one
CID 118550050
(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methoxyphenyl)-3-prop-2-enoxyazetidin-2-one
CID 10568634
(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one
CID 10757101
(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
CID 101271901
(6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenoxy-1-azabicyclo[6.2.0]dec-6-en-10-one
CID 135063462
(3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-methylbuta-2,3-dienyl]-3-phenoxyazetidin-2-one
CID 135072513
N-[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(2-oxoazetidin-1-yl)ethyl]-2-phenoxyacetamide
CID 67917550
(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-1-(4-methoxyphenyl)azetidin-2-one
CID 126736977
(3R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-1-(4-methoxyphenyl)azetidin-2-one
CID 126762860
(4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-1-(4-methoxyphenyl)azetidin-2-one
CID 126762861
(3R,4S)-4-[(1R)-1-hydroxybut-3-enyl]-3-phenoxy-1-prop-2-enylazetidin-2-one
CID 10492486

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenoxy-1-prop-2-enylazetidin-2-one?
The IUPAC name of (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenoxy-1-prop-2-enylazetidin-2-one (CID 10614390) is (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenoxy-1-prop-2-enylazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenoxy-1-prop-2-enylazetidin-2-one?
The canonical SMILES for (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenoxy-1-prop-2-enylazetidin-2-one is C=CCN1C(=O)[C@H](Oc2ccccc2)[C@@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenoxy-1-prop-2-enylazetidin-2-one?
The InChIKey is OYGZQQBXXPVLQB-QLFBSQMISA-N. The full InChI is InChI=1S/C17H21NO4/c1-4-10-18-14(13-11-20-17(2,3)22-13)15(16(18)19)21-12-8-6-5-7-9-12/h4-9,13-15H,1,10-11H2,2-3H3/t13-,14+,15-/m1/s1.
What are the key properties of (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenoxy-1-prop-2-enylazetidin-2-one?
(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenoxy-1-prop-2-enylazetidin-2-one has a molecular weight of 303.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 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-phenoxy-1-prop-2-enylazetidin-2-one is sourced from PubChem (CID 10614390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).