prop-2-enyl 2-[(2R,3S)-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-hydroxyacetate

C23H26N2O8 — CID 57311568

IUPACprop-2-enyl 2-[(2R,3S)-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-hydroxyacetate
SMILESC=CCOC(=O)C(O)N1C(=O)[C@@H](CC[C@@H]2COC(C)(C)O2)[C@H]1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H26N2O8/c1-4-11-31-22(30)21(29)25-17(24-18(26)14-7-5-6-8-15(14)19(24)27)16(20(25)28)10-9-13-12-32-23(2,3)33-13/h4-8,13,16-17,21,29H,1,9-12H2,2-3H3/t13-,16+,17+,21?/m1/s1
InChIKeyGDUOOVQZYQDCAA-NZSOHPHWSA-N
MW458.47 g/mol
LogP1.05
Rot. Bonds8

About prop-2-enyl 2-[(2R,3S)-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-hydroxyacetate

prop-2-enyl 2-[(2R,3S)-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-hydroxyacetate (PubChem CID 57311568) has the molecular formula C23H26N2O8 and a molecular weight of 458.47 g/mol. Its IUPAC name is prop-2-enyl 2-[(2R,3S)-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-hydroxyacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[(2R,3S)-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-hydroxyacetate
PubChem CID57311568
Molecular FormulaC23H26N2O8
Molecular Weight458.47 g/mol
Exact Mass458.17
IUPAC Nameprop-2-enyl 2-[(2R,3S)-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-hydroxyacetate
SMILESC=CCOC(=O)C(O)N1C(=O)[C@@H](CC[C@@H]2COC(C)(C)O2)[C@H]1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H26N2O8/c1-4-11-31-22(30)21(29)25-17(24-18(26)14-7-5-6-8-15(14)19(24)27)16(20(25)28)10-9-13-12-32-23(2,3)33-13/h4-8,13,16-17,21,29H,1,9-12H2,2-3H3/t13-,16+,17+,21?/m1/s1
InChIKeyGDUOOVQZYQDCAA-NZSOHPHWSA-N
XLogP1.05
TPSA122.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze prop-2-enyl 2-[(2R,3S)-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-hydroxyacetate with MolForge

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Related Compounds

prop-2-enyl (2R)-2-chloro-2-[(2R,3S)-3-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]acetate
CID 57183650
prop-2-enyl 2-[(2R,3S)-3-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-(triphenyl-lambda5-phosphanylidene)acetate
CID 57216800
[(3R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] 2-[(3S)-3-(1,3-dioxoisoindol-2-yl)-2-oxoazetidin-1-yl]-2-hydroxyacetate
CID 57272785
prop-2-enyl 2-[(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-4-oxo-3-[(2S)-1-oxo-1-phenylpropan-2-yl]azetidin-1-yl]-2-hydroxyacetate
CID 57307093
prop-2-enyl (2R)-2-[(2R,3S)-3-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-hydroxyacetate
CID 57324896
[(3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] 2-[(3S)-3-(1,3-dioxoisoindol-2-yl)-2-oxoazetidin-1-yl]-2-hydroxyacetate
CID 67917032
prop-2-enyl 2-[(2R,3S)-3-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-hydroxyacetate
CID 70354774
prop-2-enyl 2-[(2R,3S)-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-(triphenyl-lambda5-phosphanylidene)acetate
CID 88507879
prop-2-enyl (2S)-2-chloro-2-[(2R,3S)-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]acetate
CID 88601949
methyl (Z)-2-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-3-hydroxybut-2-enoate
CID 54689652

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[(2R,3S)-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-hydroxyacetate?
The IUPAC name of prop-2-enyl 2-[(2R,3S)-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-hydroxyacetate (CID 57311568) is prop-2-enyl 2-[(2R,3S)-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-hydroxyacetate.
What is the SMILES notation for prop-2-enyl 2-[(2R,3S)-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-hydroxyacetate?
The canonical SMILES for prop-2-enyl 2-[(2R,3S)-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-hydroxyacetate is C=CCOC(=O)C(O)N1C(=O)[C@@H](CC[C@@H]2COC(C)(C)O2)[C@H]1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of prop-2-enyl 2-[(2R,3S)-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-hydroxyacetate?
The InChIKey is GDUOOVQZYQDCAA-NZSOHPHWSA-N. The full InChI is InChI=1S/C23H26N2O8/c1-4-11-31-22(30)21(29)25-17(24-18(26)14-7-5-6-8-15(14)19(24)27)16(20(25)28)10-9-13-12-32-23(2,3)33-13/h4-8,13,16-17,21,29H,1,9-12H2,2-3H3/t13-,16+,17+,21?/m1/s1.
What are the key properties of prop-2-enyl 2-[(2R,3S)-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-hydroxyacetate?
prop-2-enyl 2-[(2R,3S)-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-hydroxyacetate has a molecular weight of 458.47 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[(2R,3S)-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-hydroxyacetate is sourced from PubChem (CID 57311568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).