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

C14H17NO3 — CID 23243968

IUPAC[(2R,3S)-1-benzyl-2-methyl-4-oxoazetidin-3-yl]methyl acetate
SMILESCC(=O)OC[C@H]1C(=O)N(Cc2ccccc2)[C@@H]1C
InChIInChI=1S/C14H17NO3/c1-10-13(9-18-11(2)16)14(17)15(10)8-12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3/t10-,13-/m1/s1
InChIKeyZVYNPOXZWQVZRI-ZWNOBZJWSA-N
MW247.29 g/mol
LogP1.60
Rot. Bonds4

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

[(2R,3S)-1-benzyl-2-methyl-4-oxoazetidin-3-yl]methyl acetate (PubChem CID 23243968) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is [(2R,3S)-1-benzyl-2-methyl-4-oxoazetidin-3-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S)-1-benzyl-2-methyl-4-oxoazetidin-3-yl]methyl acetate
PubChem CID23243968
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name[(2R,3S)-1-benzyl-2-methyl-4-oxoazetidin-3-yl]methyl acetate
SMILESCC(=O)OC[C@H]1C(=O)N(Cc2ccccc2)[C@@H]1C
InChIInChI=1S/C14H17NO3/c1-10-13(9-18-11(2)16)14(17)15(10)8-12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3/t10-,13-/m1/s1
InChIKeyZVYNPOXZWQVZRI-ZWNOBZJWSA-N
XLogP1.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N-(3-Methoxy-2-methyl-3-oxopropyl)-N-(phenylmethyl)-beta-alanine ethyl ester
CID 98098
Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alaninate
CID 93901
Methyl 1-(diphenylmethyl)azetidine-3-carboxylate
CID 2759842
N-benzyl-3-(2-methoxyethoxy)-N-methylpropanamide
CID 47984379
1-Benzyl-4-methylazetidin-2-one
CID 562612
Ethyl 3-(N-trifluoroacetyl-N-benzylamino)propanoate
CID 84347509
(3R,4S)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)azetidin-2-one
CID 135070890
1-{3-[Benzyl(oxan-4-YL)amino]azetidin-1-YL}ethan-1-one
CID 110197165
1-{3-[Benzyl(oxan-4-YL)amino]azetidin-1-YL}propan-1-one
CID 124073723
ethyl (3R,4R)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 12168118
(3R,4S)-1-benzyl-3,4-dimethylazetidin-2-one
CID 12352001
Ethyl 1-benzyl-2,7-dioxo-1-azaspiro[3.5]nona-5,8-diene-3-carboxylate
CID 44204405

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-1-benzyl-2-methyl-4-oxoazetidin-3-yl]methyl acetate?
The IUPAC name of [(2R,3S)-1-benzyl-2-methyl-4-oxoazetidin-3-yl]methyl acetate (CID 23243968) is [(2R,3S)-1-benzyl-2-methyl-4-oxoazetidin-3-yl]methyl acetate.
What is the SMILES notation for [(2R,3S)-1-benzyl-2-methyl-4-oxoazetidin-3-yl]methyl acetate?
The canonical SMILES for [(2R,3S)-1-benzyl-2-methyl-4-oxoazetidin-3-yl]methyl acetate is CC(=O)OC[C@H]1C(=O)N(Cc2ccccc2)[C@@H]1C.
What is the InChIKey of [(2R,3S)-1-benzyl-2-methyl-4-oxoazetidin-3-yl]methyl acetate?
The InChIKey is ZVYNPOXZWQVZRI-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-13(9-18-11(2)16)14(17)15(10)8-12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of [(2R,3S)-1-benzyl-2-methyl-4-oxoazetidin-3-yl]methyl acetate?
[(2R,3S)-1-benzyl-2-methyl-4-oxoazetidin-3-yl]methyl acetate has a molecular weight of 247.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-1-benzyl-2-methyl-4-oxoazetidin-3-yl]methyl acetate is sourced from PubChem (CID 23243968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).