[(2R,3S)-2-benzyl-1-ethoxy-4-oxoazetidin-3-yl] acetate

C14H17NO4 — CID 70202991

IUPAC[(2R,3S)-2-benzyl-1-ethoxy-4-oxoazetidin-3-yl] acetate
SMILESCCON1C(=O)[C@@H](OC(C)=O)[C@H]1Cc1ccccc1
InChIInChI=1S/C14H17NO4/c1-3-18-15-12(9-11-7-5-4-6-8-11)13(14(15)17)19-10(2)16/h4-8,12-13H,3,9H2,1-2H3/t12-,13+/m1/s1
InChIKeyGSJDRGHXJVSRSI-OLZOCXBDSA-N
MW263.29 g/mol
LogP1.32
Rot. Bonds5

About [(2R,3S)-2-benzyl-1-ethoxy-4-oxoazetidin-3-yl] acetate

[(2R,3S)-2-benzyl-1-ethoxy-4-oxoazetidin-3-yl] acetate (PubChem CID 70202991) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [(2R,3S)-2-benzyl-1-ethoxy-4-oxoazetidin-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S)-2-benzyl-1-ethoxy-4-oxoazetidin-3-yl] acetate
PubChem CID70202991
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[(2R,3S)-2-benzyl-1-ethoxy-4-oxoazetidin-3-yl] acetate
SMILESCCON1C(=O)[C@@H](OC(C)=O)[C@H]1Cc1ccccc1
InChIInChI=1S/C14H17NO4/c1-3-18-15-12(9-11-7-5-4-6-8-11)13(14(15)17)19-10(2)16/h4-8,12-13H,3,9H2,1-2H3/t12-,13+/m1/s1
InChIKeyGSJDRGHXJVSRSI-OLZOCXBDSA-N
XLogP1.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,3S)-2-benzyl-1-ethoxy-4-oxoazetidin-3-yl] acetate 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

[(2R,3R,4R)-2,4-diacetyloxy-1-benzyl-5-oxopyrrolidin-3-yl] acetate
CID 24827233
[(2R,3R,4S)-4-acetyloxy-1-benzyl-5-oxo-2-prop-2-enylpyrrolidin-3-yl] acetate
CID 102012893
1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione
CID 4680633
(6-acetyloxy-1-methyl-2-oxo-4,5-diphenylpiperidin-3-yl) acetate
CID 102316172
[(1S,6R,7R,8R,8aR)-6-acetyloxy-7-bromo-5-oxo-8-phenylmethoxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-1-yl] acetate
CID 14262094
benzyl (2R,3R)-3-acetyloxy-4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate
CID 15406347
(4,7-dibenzyl-6-hydroxy-2-oxo-1,3-diazepan-5-yl) acetate
CID 22089000
(4-phenylmethoxycyclopent-2-en-1-yl) acetate
CID 22754072
[(4S,5R,6R)-1,6-dibenzyl-4-[(1S)-1-bromo-2-phenylethyl]-2-oxo-1,3-diazinan-5-yl] acetate
CID 10815845
[(3R,4S,5S)-2,3,6-tribenzyl-5-[(1S)-1-bromo-2-phenylethyl]-1,1-dioxo-1,2,6-thiadiazinan-4-yl] acetate
CID 10817971
ethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate
CID 102569820
(3-benzyl-2-oxocyclopent-3-en-1-yl) acetate
CID 25185939

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-benzyl-1-ethoxy-4-oxoazetidin-3-yl] acetate?
The IUPAC name of [(2R,3S)-2-benzyl-1-ethoxy-4-oxoazetidin-3-yl] acetate (CID 70202991) is [(2R,3S)-2-benzyl-1-ethoxy-4-oxoazetidin-3-yl] acetate.
What is the SMILES notation for [(2R,3S)-2-benzyl-1-ethoxy-4-oxoazetidin-3-yl] acetate?
The canonical SMILES for [(2R,3S)-2-benzyl-1-ethoxy-4-oxoazetidin-3-yl] acetate is CCON1C(=O)[C@@H](OC(C)=O)[C@H]1Cc1ccccc1.
What is the InChIKey of [(2R,3S)-2-benzyl-1-ethoxy-4-oxoazetidin-3-yl] acetate?
The InChIKey is GSJDRGHXJVSRSI-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H17NO4/c1-3-18-15-12(9-11-7-5-4-6-8-11)13(14(15)17)19-10(2)16/h4-8,12-13H,3,9H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of [(2R,3S)-2-benzyl-1-ethoxy-4-oxoazetidin-3-yl] acetate?
[(2R,3S)-2-benzyl-1-ethoxy-4-oxoazetidin-3-yl] acetate has a molecular weight of 263.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-benzyl-1-ethoxy-4-oxoazetidin-3-yl] acetate is sourced from PubChem (CID 70202991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).