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

C15H18FNO3 — CID 57305783

IUPAC(3R,4S)-1-benzyl-4-(1,3-dioxolan-2-yl)-3-[(1R)-1-fluoroethyl]azetidin-2-one
SMILESC[C@@H](F)[C@H]1C(=O)N(Cc2ccccc2)[C@@H]1C1OCCO1
InChIInChI=1S/C15H18FNO3/c1-10(16)12-13(15-19-7-8-20-15)17(14(12)18)9-11-5-3-2-4-6-11/h2-6,10,12-13,15H,7-9H2,1H3/t10-,12-,13+/m1/s1
InChIKeyBUQIABYBTJAECM-RTXFEEFZSA-N
MW279.31 g/mol
LogP1.74
Rot. Bonds4

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

(3R,4S)-1-benzyl-4-(1,3-dioxolan-2-yl)-3-[(1R)-1-fluoroethyl]azetidin-2-one (PubChem CID 57305783) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is (3R,4S)-1-benzyl-4-(1,3-dioxolan-2-yl)-3-[(1R)-1-fluoroethyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-benzyl-4-(1,3-dioxolan-2-yl)-3-[(1R)-1-fluoroethyl]azetidin-2-one
PubChem CID57305783
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name(3R,4S)-1-benzyl-4-(1,3-dioxolan-2-yl)-3-[(1R)-1-fluoroethyl]azetidin-2-one
SMILESC[C@@H](F)[C@H]1C(=O)N(Cc2ccccc2)[C@@H]1C1OCCO1
InChIInChI=1S/C15H18FNO3/c1-10(16)12-13(15-19-7-8-20-15)17(14(12)18)9-11-5-3-2-4-6-11/h2-6,10,12-13,15H,7-9H2,1H3/t10-,12-,13+/m1/s1
InChIKeyBUQIABYBTJAECM-RTXFEEFZSA-N
XLogP1.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-1-benzyl-4-(1,3-dioxolan-2-yl)-3-[(1R)-1-fluoroethyl]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)-1-benzyl-4-(1,3-dioxolan-2-yl)-3-[(1R)-1-fluoroethyl]azetidin-2-one?
The IUPAC name of (3R,4S)-1-benzyl-4-(1,3-dioxolan-2-yl)-3-[(1R)-1-fluoroethyl]azetidin-2-one (CID 57305783) is (3R,4S)-1-benzyl-4-(1,3-dioxolan-2-yl)-3-[(1R)-1-fluoroethyl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-1-benzyl-4-(1,3-dioxolan-2-yl)-3-[(1R)-1-fluoroethyl]azetidin-2-one?
The canonical SMILES for (3R,4S)-1-benzyl-4-(1,3-dioxolan-2-yl)-3-[(1R)-1-fluoroethyl]azetidin-2-one is C[C@@H](F)[C@H]1C(=O)N(Cc2ccccc2)[C@@H]1C1OCCO1.
What is the InChIKey of (3R,4S)-1-benzyl-4-(1,3-dioxolan-2-yl)-3-[(1R)-1-fluoroethyl]azetidin-2-one?
The InChIKey is BUQIABYBTJAECM-RTXFEEFZSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-10(16)12-13(15-19-7-8-20-15)17(14(12)18)9-11-5-3-2-4-6-11/h2-6,10,12-13,15H,7-9H2,1H3/t10-,12-,13+/m1/s1.
What are the key properties of (3R,4S)-1-benzyl-4-(1,3-dioxolan-2-yl)-3-[(1R)-1-fluoroethyl]azetidin-2-one?
(3R,4S)-1-benzyl-4-(1,3-dioxolan-2-yl)-3-[(1R)-1-fluoroethyl]azetidin-2-one has a molecular weight of 279.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-benzyl-4-(1,3-dioxolan-2-yl)-3-[(1R)-1-fluoroethyl]azetidin-2-one is sourced from PubChem (CID 57305783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).