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

C15H19NO3 — CID 139603456

IUPAC1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one
SMILESCC1(C)OC[C@H](C2CC(=O)N2Cc2ccccc2)O1
InChIInChI=1S/C15H19NO3/c1-15(2)18-10-13(19-15)12-8-14(17)16(12)9-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12?,13-/m1/s1
InChIKeyRXNREYHHCRZDGN-ZGTCLIOFSA-N
MW261.32 g/mol
LogP1.94
Rot. Bonds3

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

1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one (PubChem CID 139603456) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one
PubChem CID139603456
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one
SMILESCC1(C)OC[C@H](C2CC(=O)N2Cc2ccccc2)O1
InChIInChI=1S/C15H19NO3/c1-15(2)18-10-13(19-15)12-8-14(17)16(12)9-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12?,13-/m1/s1
InChIKeyRXNREYHHCRZDGN-ZGTCLIOFSA-N
XLogP1.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]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

Related Compounds

(3R,4R)-1-benzyl-3-methyl-7-oxa-1-azaspiro[3.4]octane-2,8-dione
CID 132572078
[3-[benzyl(methyl)amino]azetidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 121559926
(3R,4S)-1-benzyl-4-(diethoxymethyl)-3-[(1R)-1-fluoroethyl]azetidin-2-one
CID 22840220
(3R,4S)-1-benzyl-4-(1,3-dioxolan-2-yl)-3-[(1R)-1-fluoroethyl]azetidin-2-one
CID 57305783
(3R,4S)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(1R)-1-fluoroethyl]azetidin-2-one
CID 67833772
(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)-1-benzyl-4-(ethoxymethoxymethyl)-3-[(1R)-1-fluoroethyl]azetidin-2-one
CID 67865243
(3R,4S)-1-benzyl-4-(diethoxymethyl)-3-(2-fluoroethyl)azetidin-2-one
CID 70440525
1-Benzyl-4-(diethoxymethyl)-3-(2-fluoroethyl)azetidin-2-one
CID 70440526
(3R,4S)-1-benzyl-4-(dimethoxymethyl)-3-[(1R)-1-fluoroethyl]azetidin-2-one
CID 139646471
(4S)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidine-2,3-dione
CID 11357834
(3S,4S)-3-acetyl-1-benzhydryl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one
CID 53391674

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one?
The IUPAC name of 1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one (CID 139603456) is 1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one.
What is the SMILES notation for 1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one?
The canonical SMILES for 1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one is CC1(C)OC[C@H](C2CC(=O)N2Cc2ccccc2)O1.
What is the InChIKey of 1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one?
The InChIKey is RXNREYHHCRZDGN-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2)18-10-13(19-15)12-8-14(17)16(12)9-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12?,13-/m1/s1.
What are the key properties of 1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one?
1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one is sourced from PubChem (CID 139603456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).