[(2S,3R)-2-[(2S,3R)-3-acetyloxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate

C26H28N2O6 — CID 10623998

IUPAC[(2S,3R)-2-[(2S,3R)-3-acetyloxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate
SMILESCC(=O)O[C@H]1C(=O)N([C@@H](C)c2ccccc2)[C@H]1[C@H]1[C@@H](OC(C)=O)C(=O)N1[C@@H](C)c1ccccc1
InChIInChI=1S/C26H28N2O6/c1-15(19-11-7-5-8-12-19)27-21(23(25(27)31)33-17(3)29)22-24(34-18(4)30)26(32)28(22)16(2)20-13-9-6-10-14-20/h5-16,21-24H,1-4H3/t15-,16-,21-,22-,23+,24+/m0/s1
InChIKeyKCRDOPDKAXRHAD-MKGQBGHDSA-N
MW464.52 g/mol
LogP2.79
Rot. Bonds7

About [(2S,3R)-2-[(2S,3R)-3-acetyloxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate

[(2S,3R)-2-[(2S,3R)-3-acetyloxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate (PubChem CID 10623998) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is [(2S,3R)-2-[(2S,3R)-3-acetyloxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3R)-2-[(2S,3R)-3-acetyloxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate
PubChem CID10623998
Molecular FormulaC26H28N2O6
Molecular Weight464.52 g/mol
Exact Mass464.19
IUPAC Name[(2S,3R)-2-[(2S,3R)-3-acetyloxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate
SMILESCC(=O)O[C@H]1C(=O)N([C@@H](C)c2ccccc2)[C@H]1[C@H]1[C@@H](OC(C)=O)C(=O)N1[C@@H](C)c1ccccc1
InChIInChI=1S/C26H28N2O6/c1-15(19-11-7-5-8-12-19)27-21(23(25(27)31)33-17(3)29)22-24(34-18(4)30)26(32)28(22)16(2)20-13-9-6-10-14-20/h5-16,21-24H,1-4H3/t15-,16-,21-,22-,23+,24+/m0/s1
InChIKeyKCRDOPDKAXRHAD-MKGQBGHDSA-N
XLogP2.79
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S,3R)-2-[(2S,3R)-3-acetyloxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate with MolForge

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Launch Full Analysis

Related Compounds

[2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate
CID 67612321
[3-[benzyl(methyl)amino]azetidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 121559926
(3r,4s)-2-Oxo-4-phenyl-1-[(1s)-1-phenylethyl]azetidin-3-yl acetate
CID 11833830
tert-butyl 4-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15675090
tert-butyl (5S)-4-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 134919885
[2-Oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate
CID 22901647
[(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate
CID 54221376
[(3R,4S)-1-methyl-2-oxo-4-phenylazetidin-3-yl] acetate;[(3R,4S)-2-oxo-4-phenylazetidin-3-yl] acetate
CID 91243892
[(3S,4R)-2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate
CID 132497963
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 10597583
(3R,4S)-3-hydroxy-4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 10643493
[(2R,3S)-2-[(2R,3S)-3-acetyloxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate
CID 10671817

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-[(2S,3R)-3-acetyloxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate?
The IUPAC name of [(2S,3R)-2-[(2S,3R)-3-acetyloxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate (CID 10623998) is [(2S,3R)-2-[(2S,3R)-3-acetyloxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate.
What is the SMILES notation for [(2S,3R)-2-[(2S,3R)-3-acetyloxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate?
The canonical SMILES for [(2S,3R)-2-[(2S,3R)-3-acetyloxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate is CC(=O)O[C@H]1C(=O)N([C@@H](C)c2ccccc2)[C@H]1[C@H]1[C@@H](OC(C)=O)C(=O)N1[C@@H](C)c1ccccc1.
What is the InChIKey of [(2S,3R)-2-[(2S,3R)-3-acetyloxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate?
The InChIKey is KCRDOPDKAXRHAD-MKGQBGHDSA-N. The full InChI is InChI=1S/C26H28N2O6/c1-15(19-11-7-5-8-12-19)27-21(23(25(27)31)33-17(3)29)22-24(34-18(4)30)26(32)28(22)16(2)20-13-9-6-10-14-20/h5-16,21-24H,1-4H3/t15-,16-,21-,22-,23+,24+/m0/s1.
What are the key properties of [(2S,3R)-2-[(2S,3R)-3-acetyloxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate?
[(2S,3R)-2-[(2S,3R)-3-acetyloxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate has a molecular weight of 464.52 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-[(2S,3R)-3-acetyloxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate is sourced from PubChem (CID 10623998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).