[(1R)-1-[(2R,3R)-2-acetyloxy-4-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate

C30H29NO6 — CID 44550820

IUPAC[(1R)-1-[(2R,3R)-2-acetyloxy-4-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate
SMILESCC(=O)O[C@@H]1[C@@H]([C@@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)C(=O)N1C(=O)CCc1ccccc1
InChIInChI=1S/C30H29NO6/c1-20(36-27(34)19-23-13-16-25(17-14-23)24-11-7-4-8-12-24)28-29(35)31(30(28)37-21(2)32)26(33)18-15-22-9-5-3-6-10-22/h3-14,16-17,20,28,30H,15,18-19H2,1-2H3/t20-,28+,30-/m1/s1
InChIKeyFUMZVELUJXBIDI-CQXWEXEVSA-N
MW499.56 g/mol
LogP4.33
Rot. Bonds9

About [(1R)-1-[(2R,3R)-2-acetyloxy-4-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate

[(1R)-1-[(2R,3R)-2-acetyloxy-4-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate (PubChem CID 44550820) has the molecular formula C30H29NO6 and a molecular weight of 499.56 g/mol. Its IUPAC name is [(1R)-1-[(2R,3R)-2-acetyloxy-4-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[(1R)-1-[(2R,3R)-2-acetyloxy-4-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate
PubChem CID44550820
Molecular FormulaC30H29NO6
Molecular Weight499.56 g/mol
Exact Mass499.20
IUPAC Name[(1R)-1-[(2R,3R)-2-acetyloxy-4-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate
SMILESCC(=O)O[C@@H]1[C@@H]([C@@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)C(=O)N1C(=O)CCc1ccccc1
InChIInChI=1S/C30H29NO6/c1-20(36-27(34)19-23-13-16-25(17-14-23)24-11-7-4-8-12-24)28-29(35)31(30(28)37-21(2)32)26(33)18-15-22-9-5-3-6-10-22/h3-14,16-17,20,28,30H,15,18-19H2,1-2H3/t20-,28+,30-/m1/s1
InChIKeyFUMZVELUJXBIDI-CQXWEXEVSA-N
XLogP4.33
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1R)-1-[(2R,3R)-2-acetyloxy-4-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate 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 [(1R)-1-[(2R,3R)-2-acetyloxy-4-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [(1R)-1-[(2R,3R)-2-acetyloxy-4-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate (CID 44550820) is [(1R)-1-[(2R,3R)-2-acetyloxy-4-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [(1R)-1-[(2R,3R)-2-acetyloxy-4-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [(1R)-1-[(2R,3R)-2-acetyloxy-4-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate is CC(=O)O[C@@H]1[C@@H]([C@@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)C(=O)N1C(=O)CCc1ccccc1.
What is the InChIKey of [(1R)-1-[(2R,3R)-2-acetyloxy-4-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate?
The InChIKey is FUMZVELUJXBIDI-CQXWEXEVSA-N. The full InChI is InChI=1S/C30H29NO6/c1-20(36-27(34)19-23-13-16-25(17-14-23)24-11-7-4-8-12-24)28-29(35)31(30(28)37-21(2)32)26(33)18-15-22-9-5-3-6-10-22/h3-14,16-17,20,28,30H,15,18-19H2,1-2H3/t20-,28+,30-/m1/s1.
What are the key properties of [(1R)-1-[(2R,3R)-2-acetyloxy-4-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate?
[(1R)-1-[(2R,3R)-2-acetyloxy-4-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate has a molecular weight of 499.56 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2R,3R)-2-acetyloxy-4-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 44550820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).