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

C19H19NO3 — CID 23243965

IUPAC[(2S,3R)-1-benzyl-4-oxo-3-phenylazetidin-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1[C@@H](c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H19NO3/c1-14(21)23-13-17-18(16-10-6-3-7-11-16)19(22)20(17)12-15-8-4-2-5-9-15/h2-11,17-18H,12-13H2,1H3/t17-,18-/m1/s1
InChIKeyYEJHBUKJBIMOBP-QZTJIDSGSA-N
MW309.37 g/mol
LogP2.74
Rot. Bonds5

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

[(2S,3R)-1-benzyl-4-oxo-3-phenylazetidin-2-yl]methyl acetate (PubChem CID 23243965) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is [(2S,3R)-1-benzyl-4-oxo-3-phenylazetidin-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S,3R)-1-benzyl-4-oxo-3-phenylazetidin-2-yl]methyl acetate
PubChem CID23243965
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name[(2S,3R)-1-benzyl-4-oxo-3-phenylazetidin-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1[C@@H](c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H19NO3/c1-14(21)23-13-17-18(16-10-6-3-7-11-16)19(22)20(17)12-15-8-4-2-5-9-15/h2-11,17-18H,12-13H2,1H3/t17-,18-/m1/s1
InChIKeyYEJHBUKJBIMOBP-QZTJIDSGSA-N
XLogP2.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 4333683
[2-Oxo-2-(1-phenylethylamino)ethyl] 3,3-diphenylpropanoate
CID 3253072
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 2368876
Ethyl 3-[benzyl(methyl)amino]-2-cyclohexyl-3-oxopropanoate
CID 2899015
1-Benzyl-2-(4-methylphenyl)-4-oxo-3-azetidinyl acetate
CID 4231036
Ethyl 2-methyl-1-(4-phenylbenzoyl)azetidine-2-carboxylate
CID 49786893
(2S,3S)-1,2-dibenzyl-3-methyl-4-oxoazetidine-2-carboxylic acid
CID 56642675
(2S,3S)-2-benzyl-1-[(4-fluorophenyl)methyl]-3-methyl-4-oxoazetidine-2-carboxylic acid
CID 56642676
Methyl 2-[[1-[2-(isobutylamino)-2-oxo-1-phenyl-ethyl]-4-oxo-azetidine-2-carbonyl]amino]-3-phenyl-propanoate
CID 5278776
Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, diphenylacetate
CID 58689
Glycine, N-cyclohexyl-2-phenyl-N-(phenylacetyl)-, methyl ester
CID 3068540
Glycine, N-benzyl-2-phenyl-N-(phenylacetyl)-, methyl ester
CID 3068541

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-benzyl-4-oxo-3-phenylazetidin-2-yl]methyl acetate?
The IUPAC name of [(2S,3R)-1-benzyl-4-oxo-3-phenylazetidin-2-yl]methyl acetate (CID 23243965) is [(2S,3R)-1-benzyl-4-oxo-3-phenylazetidin-2-yl]methyl acetate.
What is the SMILES notation for [(2S,3R)-1-benzyl-4-oxo-3-phenylazetidin-2-yl]methyl acetate?
The canonical SMILES for [(2S,3R)-1-benzyl-4-oxo-3-phenylazetidin-2-yl]methyl acetate is CC(=O)OC[C@@H]1[C@@H](c2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of [(2S,3R)-1-benzyl-4-oxo-3-phenylazetidin-2-yl]methyl acetate?
The InChIKey is YEJHBUKJBIMOBP-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H19NO3/c1-14(21)23-13-17-18(16-10-6-3-7-11-16)19(22)20(17)12-15-8-4-2-5-9-15/h2-11,17-18H,12-13H2,1H3/t17-,18-/m1/s1.
What are the key properties of [(2S,3R)-1-benzyl-4-oxo-3-phenylazetidin-2-yl]methyl acetate?
[(2S,3R)-1-benzyl-4-oxo-3-phenylazetidin-2-yl]methyl acetate has a molecular weight of 309.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-benzyl-4-oxo-3-phenylazetidin-2-yl]methyl acetate is sourced from PubChem (CID 23243965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).