[(2R)-1-[(2S,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-oxoazetidin-1-yl]pent-4-en-2-yl] (2S)-2-acetyloxy-2-phenylacetate

C24H31NO8 — CID 10742675

About [(2R)-1-[(2S,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-oxoazetidin-1-yl]pent-4-en-2-yl] (2S)-2-acetyloxy-2-phenylacetate

[(2R)-1-[(2S,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-oxoazetidin-1-yl]pent-4-en-2-yl] (2S)-2-acetyloxy-2-phenylacetate (PubChem CID 10742675) has the molecular formula C24H31NO8 and a molecular weight of 461.51 g/mol. Its IUPAC name is [(2R)-1-[(2S,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-oxoazetidin-1-yl]pent-4-en-2-yl] (2S)-2-acetyloxy-2-phenylacetate.

Molecular Properties

• Compound Name: [(2R)-1-[(2S,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-oxoazetidin-1-yl]pent-4-en-2-yl] (2S)-2-acetyloxy-2-phenylacetate
• PubChem CID: 10742675
• Molecular Formula: C24H31NO8
• Molecular Weight: 461.51 g/mol
• Exact Mass: 461.20
• IUPAC Name: [(2R)-1-[(2S,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-oxoazetidin-1-yl]pent-4-en-2-yl] (2S)-2-acetyloxy-2-phenylacetate
• SMILES: C=CC[C@H](CN1C(=O)[C@H](OC)[C@@H]1[C@H]1COC(C)(C)O1)OC(=O)[C@@H](OC(C)=O)c1ccccc1
• InChI: InChI=1S/C24H31NO8/c1-6-10-17(32-23(28)20(31-15(2)26)16-11-8-7-9-12-16)13-25-19(21(29-5)22(25)27)18-14-30-24(3,4)33-18/h6-9,11-12,17-21H,1,10,13-14H2,2-5H3/t17-,18-,19+,20+,21-/m1/s1
• InChIKey: OVGBIWZYXLZPQQ-CRSSMBPESA-N
• XLogP: 2.16
• TPSA: 100.60 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.51
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2S,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-oxoazetidin-1-yl]pent-4-en-2-yl] (2S)-2-acetyloxy-2-phenylacetate?

The IUPAC name of [(2R)-1-[(2S,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-oxoazetidin-1-yl]pent-4-en-2-yl] (2S)-2-acetyloxy-2-phenylacetate (CID 10742675) is [(2R)-1-[(2S,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-oxoazetidin-1-yl]pent-4-en-2-yl] (2S)-2-acetyloxy-2-phenylacetate.

What is the SMILES notation for [(2R)-1-[(2S,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-oxoazetidin-1-yl]pent-4-en-2-yl] (2S)-2-acetyloxy-2-phenylacetate?

The canonical SMILES for [(2R)-1-[(2S,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-oxoazetidin-1-yl]pent-4-en-2-yl] (2S)-2-acetyloxy-2-phenylacetate is C=CC[C@H](CN1C(=O)[C@H](OC)[C@@H]1[C@H]1COC(C)(C)O1)OC(=O)[C@@H](OC(C)=O)c1ccccc1.

What is the InChIKey of [(2R)-1-[(2S,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-oxoazetidin-1-yl]pent-4-en-2-yl] (2S)-2-acetyloxy-2-phenylacetate?

The InChIKey is OVGBIWZYXLZPQQ-CRSSMBPESA-N. The full InChI is InChI=1S/C24H31NO8/c1-6-10-17(32-23(28)20(31-15(2)26)16-11-8-7-9-12-16)13-25-19(21(29-5)22(25)27)18-14-30-24(3,4)33-18/h6-9,11-12,17-21H,1,10,13-14H2,2-5H3/t17-,18-,19+,20+,21-/m1/s1.

What are the key properties of [(2R)-1-[(2S,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-oxoazetidin-1-yl]pent-4-en-2-yl] (2S)-2-acetyloxy-2-phenylacetate?

[(2R)-1-[(2S,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-oxoazetidin-1-yl]pent-4-en-2-yl] (2S)-2-acetyloxy-2-phenylacetate has a molecular weight of 461.51 g/mol, XLogP of 2.16, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[(2S,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-oxoazetidin-1-yl]pent-4-en-2-yl] (2S)-2-acetyloxy-2-phenylacetate is sourced from PubChem (CID 10742675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).