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

C16H21NO5 — CID 10757101

IUPAC(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](OC)[C@@H]2[C@H]2COC(C)(C)O2)cc1
InChIInChI=1S/C16H21NO5/c1-16(2)21-9-12(22-16)13-14(20-4)15(18)17(13)10-5-7-11(19-3)8-6-10/h5-8,12-14H,9H2,1-4H3/t12-,13+,14-/m1/s1
InChIKeyDDROKJXEJGSXJJ-HZSPNIEDSA-N
MW307.35 g/mol
LogP1.58
Rot. Bonds4

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

(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one (PubChem CID 10757101) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one
PubChem CID10757101
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](OC)[C@@H]2[C@H]2COC(C)(C)O2)cc1
InChIInChI=1S/C16H21NO5/c1-16(2)21-9-12(22-16)13-14(20-4)15(18)17(13)10-5-7-11(19-3)8-6-10/h5-8,12-14H,9H2,1-4H3/t12-,13+,14-/m1/s1
InChIKeyDDROKJXEJGSXJJ-HZSPNIEDSA-N
XLogP1.58
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-1-(4-methoxyphenyl)azetidin-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

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one (CID 10757101) is (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one is COc1ccc(N2C(=O)[C@H](OC)[C@@H]2[C@H]2COC(C)(C)O2)cc1.
What is the InChIKey of (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one?
The InChIKey is DDROKJXEJGSXJJ-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H21NO5/c1-16(2)21-9-12(22-16)13-14(20-4)15(18)17(13)10-5-7-11(19-3)8-6-10/h5-8,12-14H,9H2,1-4H3/t12-,13+,14-/m1/s1.
What are the key properties of (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one?
(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one has a molecular weight of 307.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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-methoxy-1-(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 10757101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).