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

C25H22N2O7 — CID 57307093

IUPACprop-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
SMILESC=CCOC(=O)C(O)N1C(=O)[C@@H]([C@H](C)C(=O)c2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H22N2O7/c1-3-13-34-25(33)24(32)27-20(26-21(29)16-11-7-8-12-17(16)22(26)30)18(23(27)31)14(2)19(28)15-9-5-4-6-10-15/h3-12,14,18,20,24,32H,1,13H2,2H3/t14-,18-,20-,24?/m0/s1
InChIKeyAYGMNOQDPWHXOG-UDJBTEEQSA-N
MW462.46 g/mol
LogP1.63
Rot. Bonds8

About 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

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 (PubChem CID 57307093) has the molecular formula C25H22N2O7 and a molecular weight of 462.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameprop-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
PubChem CID57307093
Molecular FormulaC25H22N2O7
Molecular Weight462.46 g/mol
Exact Mass462.14
IUPAC Nameprop-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
SMILESC=CCOC(=O)C(O)N1C(=O)[C@@H]([C@H](C)C(=O)c2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H22N2O7/c1-3-13-34-25(33)24(32)27-20(26-21(29)16-11-7-8-12-17(16)22(26)30)18(23(27)31)14(2)19(28)15-9-5-4-6-10-15/h3-12,14,18,20,24,32H,1,13H2,2H3/t14-,18-,20-,24?/m0/s1
InChIKeyAYGMNOQDPWHXOG-UDJBTEEQSA-N
XLogP1.63
TPSA121.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)-2-(1,3-dioxoisoindol-2-yl)-4-oxo-3-[(2S)-1-oxo-1-phenylpropan-2-yl]azetidin-1-yl]-2-hydroxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCOC(=O)C(O)N1C(=O)[C@@H]([C@H](C)C(=O)c2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 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?
The InChIKey is AYGMNOQDPWHXOG-UDJBTEEQSA-N. The full InChI is InChI=1S/C25H22N2O7/c1-3-13-34-25(33)24(32)27-20(26-21(29)16-11-7-8-12-17(16)22(26)30)18(23(27)31)14(2)19(28)15-9-5-4-6-10-15/h3-12,14,18,20,24,32H,1,13H2,2H3/t14-,18-,20-,24?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 462.46 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 57307093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).