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

C26H29NO8 — CID 15386263

IUPAC[(2R)-2-[(2R,3S)-3-acetyloxy-4-oxo-1-[(1R)-1-phenylethyl]azetidin-2-yl]-2-phenylmethoxyethyl] 2-acetyloxyacetate
SMILESCC(=O)OCC(=O)OC[C@H](OCc1ccccc1)[C@@H]1[C@H](OC(C)=O)C(=O)N1[C@H](C)c1ccccc1
InChIInChI=1S/C26H29NO8/c1-17(21-12-8-5-9-13-21)27-24(25(26(27)31)35-19(3)29)22(15-34-23(30)16-32-18(2)28)33-14-20-10-6-4-7-11-20/h4-13,17,22,24-25H,14-16H2,1-3H3/t17-,22+,24-,25+/m1/s1
InChIKeySLQZXQHKRRGISZ-IMYILZHDSA-N
MW483.52 g/mol
LogP2.58
Rot. Bonds11

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

[(2R)-2-[(2R,3S)-3-acetyloxy-4-oxo-1-[(1R)-1-phenylethyl]azetidin-2-yl]-2-phenylmethoxyethyl] 2-acetyloxyacetate (PubChem CID 15386263) has the molecular formula C26H29NO8 and a molecular weight of 483.52 g/mol. Its IUPAC name is [(2R)-2-[(2R,3S)-3-acetyloxy-4-oxo-1-[(1R)-1-phenylethyl]azetidin-2-yl]-2-phenylmethoxyethyl] 2-acetyloxyacetate.

Molecular Properties

Compound Name[(2R)-2-[(2R,3S)-3-acetyloxy-4-oxo-1-[(1R)-1-phenylethyl]azetidin-2-yl]-2-phenylmethoxyethyl] 2-acetyloxyacetate
PubChem CID15386263
Molecular FormulaC26H29NO8
Molecular Weight483.52 g/mol
Exact Mass483.19
IUPAC Name[(2R)-2-[(2R,3S)-3-acetyloxy-4-oxo-1-[(1R)-1-phenylethyl]azetidin-2-yl]-2-phenylmethoxyethyl] 2-acetyloxyacetate
SMILESCC(=O)OCC(=O)OC[C@H](OCc1ccccc1)[C@@H]1[C@H](OC(C)=O)C(=O)N1[C@H](C)c1ccccc1
InChIInChI=1S/C26H29NO8/c1-17(21-12-8-5-9-13-21)27-24(25(26(27)31)35-19(3)29)22(15-34-23(30)16-32-18(2)28)33-14-20-10-6-4-7-11-20/h4-13,17,22,24-25H,14-16H2,1-3H3/t17-,22+,24-,25+/m1/s1
InChIKeySLQZXQHKRRGISZ-IMYILZHDSA-N
XLogP2.58
TPSA108.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-2-[[(3S,4R)-3-methoxy-2-oxo-4-phenylazetidin-1-yl]methyl]-3-phenylprop-2-enoate
CID 134142180
ethyl (E)-2-[[(2R,3S)-2-(4-fluorophenyl)-3-methoxy-4-oxoazetidin-1-yl]methyl]-3-phenylprop-2-enoate
CID 134151932
(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10521752
(3S,4S)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10617763
(3S,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 134835524
[(2R)-2-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2-phenylmethoxyethyl] 2-acetyloxyacetate
CID 390824
[(2R)-2-[(2R,3S)-4-oxo-1-[(1R)-1-phenylethyl]-3-phenylmethoxyazetidin-2-yl]-2-phenylmethoxyethyl] 2-phenylmethoxyacetate
CID 390825
(3S,4S)-3-hydroxy-4-[(1R)-2-hydroxy-1-phenylmethoxyethyl]-1-[(1R)-1-phenylethyl]azetidin-2-one
CID 390826
(3R,4S)-4-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-3-[(1R)-1-fluoroethyl]-1-[methoxy(phenyl)methyl]azetidin-2-one
CID 67834540
[3,4,5-Triacetoxy-6-(2-oxo-3-phenoxy-4-phenyl-azetidin-1-yl)tetrahydropyran-2-yl]methyl acetate
CID 374112
2-(3-(Acetyloxy)-1-benzyl-4-oxo-2-azetidinyl)-2-(benzyloxy)ethyl (acetyloxy)acetate
CID 496414
2-(Benzyloxy)-2-(3-(benzyloxy)-4-oxo-1-(1-phenylethyl)-2-azetidinyl)ethyl (benzyloxy)acetate
CID 496415

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2R,3S)-3-acetyloxy-4-oxo-1-[(1R)-1-phenylethyl]azetidin-2-yl]-2-phenylmethoxyethyl] 2-acetyloxyacetate?
The IUPAC name of [(2R)-2-[(2R,3S)-3-acetyloxy-4-oxo-1-[(1R)-1-phenylethyl]azetidin-2-yl]-2-phenylmethoxyethyl] 2-acetyloxyacetate (CID 15386263) is [(2R)-2-[(2R,3S)-3-acetyloxy-4-oxo-1-[(1R)-1-phenylethyl]azetidin-2-yl]-2-phenylmethoxyethyl] 2-acetyloxyacetate.
What is the SMILES notation for [(2R)-2-[(2R,3S)-3-acetyloxy-4-oxo-1-[(1R)-1-phenylethyl]azetidin-2-yl]-2-phenylmethoxyethyl] 2-acetyloxyacetate?
The canonical SMILES for [(2R)-2-[(2R,3S)-3-acetyloxy-4-oxo-1-[(1R)-1-phenylethyl]azetidin-2-yl]-2-phenylmethoxyethyl] 2-acetyloxyacetate is CC(=O)OCC(=O)OC[C@H](OCc1ccccc1)[C@@H]1[C@H](OC(C)=O)C(=O)N1[C@H](C)c1ccccc1.
What is the InChIKey of [(2R)-2-[(2R,3S)-3-acetyloxy-4-oxo-1-[(1R)-1-phenylethyl]azetidin-2-yl]-2-phenylmethoxyethyl] 2-acetyloxyacetate?
The InChIKey is SLQZXQHKRRGISZ-IMYILZHDSA-N. The full InChI is InChI=1S/C26H29NO8/c1-17(21-12-8-5-9-13-21)27-24(25(26(27)31)35-19(3)29)22(15-34-23(30)16-32-18(2)28)33-14-20-10-6-4-7-11-20/h4-13,17,22,24-25H,14-16H2,1-3H3/t17-,22+,24-,25+/m1/s1.
What are the key properties of [(2R)-2-[(2R,3S)-3-acetyloxy-4-oxo-1-[(1R)-1-phenylethyl]azetidin-2-yl]-2-phenylmethoxyethyl] 2-acetyloxyacetate?
[(2R)-2-[(2R,3S)-3-acetyloxy-4-oxo-1-[(1R)-1-phenylethyl]azetidin-2-yl]-2-phenylmethoxyethyl] 2-acetyloxyacetate has a molecular weight of 483.52 g/mol, XLogP of 2.58, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2R,3S)-3-acetyloxy-4-oxo-1-[(1R)-1-phenylethyl]azetidin-2-yl]-2-phenylmethoxyethyl] 2-acetyloxyacetate is sourced from PubChem (CID 15386263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).