prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate

C18H26N2O6 — CID 57158414

About prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate

prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate (PubChem CID 57158414) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate.

Molecular Properties

• Compound Name: prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate
• PubChem CID: 57158414
• Molecular Formula: C18H26N2O6
• Molecular Weight: 366.41 g/mol
• Exact Mass: 366.18
• IUPAC Name: prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate
• SMILES: C=CCOC(=O)N1CCOC[C@H]1C=C(C)C(=O)C[C@H]1NC(=O)[C@@H]1[C@@H](C)O
• InChI: InChI=1S/C18H26N2O6/c1-4-6-26-18(24)20-5-7-25-10-13(20)8-11(2)15(22)9-14-16(12(3)21)17(23)19-14/h4,8,12-14,16,21H,1,5-7,9-10H2,2-3H3,(H,19,23)/t12-,13-,14-,16-/m1/s1
• InChIKey: ZBJNLGZEGUMWRM-IXYNUQLISA-N
• XLogP: 0.41
• TPSA: 105.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.41
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate?

The IUPAC name of prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate (CID 57158414) is prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate.

What is the SMILES notation for prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate?

The canonical SMILES for prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate is C=CCOC(=O)N1CCOC[C@H]1C=C(C)C(=O)C[C@H]1NC(=O)[C@@H]1[C@@H](C)O.

What is the InChIKey of prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate?

The InChIKey is ZBJNLGZEGUMWRM-IXYNUQLISA-N. The full InChI is InChI=1S/C18H26N2O6/c1-4-6-26-18(24)20-5-7-25-10-13(20)8-11(2)15(22)9-14-16(12(3)21)17(23)19-14/h4,8,12-14,16,21H,1,5-7,9-10H2,2-3H3,(H,19,23)/t12-,13-,14-,16-/m1/s1.

What are the key properties of prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate?

prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate has a molecular weight of 366.41 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate is sourced from PubChem (CID 57158414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).