ethyl (3R,4R)-2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidine-3-carboxylate

C20H21NO3 — CID 10758260

IUPACethyl (3R,4R)-2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidine-3-carboxylate
SMILESCCOC(=O)[C@H]1C(=O)N([C@@H](C)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO3/c1-3-24-20(23)17-18(16-12-8-5-9-13-16)21(19(17)22)14(2)15-10-6-4-7-11-15/h4-14,17-18H,3H2,1-2H3/t14-,17+,18-/m0/s1
InChIKeyUCLHSBFSABFAHP-QGTPRVQTSA-N
MW323.39 g/mol
LogP3.51
Rot. Bonds5

About ethyl (3R,4R)-2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidine-3-carboxylate

ethyl (3R,4R)-2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidine-3-carboxylate (PubChem CID 10758260) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl (3R,4R)-2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R,4R)-2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidine-3-carboxylate
PubChem CID10758260
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Nameethyl (3R,4R)-2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidine-3-carboxylate
SMILESCCOC(=O)[C@H]1C(=O)N([C@@H](C)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO3/c1-3-24-20(23)17-18(16-12-8-5-9-13-16)21(19(17)22)14(2)15-10-6-4-7-11-15/h4-14,17-18H,3H2,1-2H3/t14-,17+,18-/m0/s1
InChIKeyUCLHSBFSABFAHP-QGTPRVQTSA-N
XLogP3.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl (3R,4R)-2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidine-3-carboxylate 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

2,N-Dibenzyl-malonamic acid ethyl ester
CID 2836855
(S)-ethyl 3-(4,4-difluorocyclohexanecarboxamido)-3-phenylpropanoate
CID 10131981
Methyl 3-[(3-ethoxy-3-oxopropanoyl)amino]-3-(4-isopropylphenyl)propanoate
CID 2768159
[(1R)-1-[(3S)-2-oxo-1-(4-phenylbutanoyl)azetidin-3-yl]ethyl] 4-phenylbutanoate
CID 44549111
[(1R)-1-[(3S)-2-oxo-1-(4-phenylbutanoyl)azetidin-3-yl]ethyl] 5-phenylpentanoate
CID 44549112
[(1R)-1-[(3S)-2-oxo-1-(5-phenylpentanoyl)azetidin-3-yl]ethyl] 4-phenylbutanoate
CID 44549114
[(1R)-1-[(3S)-1-hex-5-enoyl-2-oxoazetidin-3-yl]ethyl] 4-phenylbutanoate
CID 44549231
[(1R)-1-[(3S)-1-hex-5-enoyl-2-oxoazetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate
CID 44549232
[(1R)-1-[(2R,3R)-2-acetyloxy-4-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 4-phenylbutanoate
CID 44550819
[(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 3-phenylpropanoate
CID 44550949
[(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 4-phenylbutanoate
CID 44550950
[(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 5-phenylpentanoate
CID 44550951

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4R)-2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidine-3-carboxylate?
The IUPAC name of ethyl (3R,4R)-2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidine-3-carboxylate (CID 10758260) is ethyl (3R,4R)-2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidine-3-carboxylate.
What is the SMILES notation for ethyl (3R,4R)-2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidine-3-carboxylate?
The canonical SMILES for ethyl (3R,4R)-2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidine-3-carboxylate is CCOC(=O)[C@H]1C(=O)N([C@@H](C)c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of ethyl (3R,4R)-2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidine-3-carboxylate?
The InChIKey is UCLHSBFSABFAHP-QGTPRVQTSA-N. The full InChI is InChI=1S/C20H21NO3/c1-3-24-20(23)17-18(16-12-8-5-9-13-16)21(19(17)22)14(2)15-10-6-4-7-11-15/h4-14,17-18H,3H2,1-2H3/t14-,17+,18-/m0/s1.
What are the key properties of ethyl (3R,4R)-2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidine-3-carboxylate?
ethyl (3R,4R)-2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidine-3-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4R)-2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidine-3-carboxylate is sourced from PubChem (CID 10758260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).