[(1R)-1-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate

C24H25NO4 — CID 44549228

IUPAC[(1R)-1-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate
SMILESC=CCCC(=O)N1C[C@@H]([C@@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C24H25NO4/c1-3-4-10-22(26)25-16-21(24(25)28)17(2)29-23(27)15-18-11-13-20(14-12-18)19-8-6-5-7-9-19/h3,5-9,11-14,17,21H,1,4,10,15-16H2,2H3/t17-,21+/m1/s1
InChIKeyDXEIVYGUSNQVQA-UTKZUKDTSA-N
MW391.47 g/mol
LogP3.78
Rot. Bonds8

About [(1R)-1-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate

[(1R)-1-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate (PubChem CID 44549228) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is [(1R)-1-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[(1R)-1-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate
PubChem CID44549228
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name[(1R)-1-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate
SMILESC=CCCC(=O)N1C[C@@H]([C@@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C24H25NO4/c1-3-4-10-22(26)25-16-21(24(25)28)17(2)29-23(27)15-18-11-13-20(14-12-18)19-8-6-5-7-9-19/h3,5-9,11-14,17,21H,1,4,10,15-16H2,2H3/t17-,21+/m1/s1
InChIKeyDXEIVYGUSNQVQA-UTKZUKDTSA-N
XLogP3.78
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [(1R)-1-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate (CID 44549228) is [(1R)-1-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [(1R)-1-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [(1R)-1-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate is C=CCCC(=O)N1C[C@@H]([C@@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)C1=O.
What is the InChIKey of [(1R)-1-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate?
The InChIKey is DXEIVYGUSNQVQA-UTKZUKDTSA-N. The full InChI is InChI=1S/C24H25NO4/c1-3-4-10-22(26)25-16-21(24(25)28)17(2)29-23(27)15-18-11-13-20(14-12-18)19-8-6-5-7-9-19/h3,5-9,11-14,17,21H,1,4,10,15-16H2,2H3/t17-,21+/m1/s1.
What are the key properties of [(1R)-1-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate?
[(1R)-1-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate has a molecular weight of 391.47 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 44549228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).