(2R)-N-[(1R,2S,5R)-5-(cyclopenten-1-ylmethyl)-1-hydroxy-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide

C32H44N2O8 — CID 147800336

About (2R)-N-[(1R,2S,5R)-5-(cyclopenten-1-ylmethyl)-1-hydroxy-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide

(2R)-N-[(1R,2S,5R)-5-(cyclopenten-1-ylmethyl)-1-hydroxy-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide (PubChem CID 147800336) has the molecular formula C32H44N2O8 and a molecular weight of 584.71 g/mol. Its IUPAC name is (2R)-N-[(1R,2S,5R)-5-(cyclopenten-1-ylmethyl)-1-hydroxy-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide.

Molecular Properties

• Compound Name: (2R)-N-[(1R,2S,5R)-5-(cyclopenten-1-ylmethyl)-1-hydroxy-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide
• PubChem CID: 147800336
• Molecular Formula: C32H44N2O8
• Molecular Weight: 584.71 g/mol
• Exact Mass: 584.31
• IUPAC Name: (2R)-N-[(1R,2S,5R)-5-(cyclopenten-1-ylmethyl)-1-hydroxy-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide
• SMILES: COc1ccc([C@@H](O)[C@H](NC(=O)[C@H](C)CC(=O)CN2CCOCC2)C(=O)C[C@@H](CC2=CCCC2)C(=O)[C@@]2(C)CO2)cc1
• InChI: InChI=1S/C32H44N2O8/c1-21(16-25(35)19-34-12-14-41-15-13-34)31(39)33-28(29(37)23-8-10-26(40-3)11-9-23)27(36)18-24(17-22-6-4-5-7-22)30(38)32(2)20-42-32/h6,8-11,21,24,28-29,37H,4-5,7,12-20H2,1-3H3,(H,33,39)/t21-,24-,28-,29-,32-/m1/s1
• InChIKey: HLJXYWMKUAFVRY-ONPXJFCWSA-N
• XLogP: 2.57
• TPSA: 134.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.71
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R,2S,5R)-5-(cyclopenten-1-ylmethyl)-1-hydroxy-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide?

The IUPAC name of (2R)-N-[(1R,2S,5R)-5-(cyclopenten-1-ylmethyl)-1-hydroxy-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide (CID 147800336) is (2R)-N-[(1R,2S,5R)-5-(cyclopenten-1-ylmethyl)-1-hydroxy-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide.

What is the SMILES notation for (2R)-N-[(1R,2S,5R)-5-(cyclopenten-1-ylmethyl)-1-hydroxy-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide?

The canonical SMILES for (2R)-N-[(1R,2S,5R)-5-(cyclopenten-1-ylmethyl)-1-hydroxy-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide is COc1ccc([C@@H](O)[C@H](NC(=O)[C@H](C)CC(=O)CN2CCOCC2)C(=O)C[C@@H](CC2=CCCC2)C(=O)[C@@]2(C)CO2)cc1.

What is the InChIKey of (2R)-N-[(1R,2S,5R)-5-(cyclopenten-1-ylmethyl)-1-hydroxy-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide?

The InChIKey is HLJXYWMKUAFVRY-ONPXJFCWSA-N. The full InChI is InChI=1S/C32H44N2O8/c1-21(16-25(35)19-34-12-14-41-15-13-34)31(39)33-28(29(37)23-8-10-26(40-3)11-9-23)27(36)18-24(17-22-6-4-5-7-22)30(38)32(2)20-42-32/h6,8-11,21,24,28-29,37H,4-5,7,12-20H2,1-3H3,(H,33,39)/t21-,24-,28-,29-,32-/m1/s1.

What are the key properties of (2R)-N-[(1R,2S,5R)-5-(cyclopenten-1-ylmethyl)-1-hydroxy-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide?

(2R)-N-[(1R,2S,5R)-5-(cyclopenten-1-ylmethyl)-1-hydroxy-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide has a molecular weight of 584.71 g/mol, XLogP of 2.57, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(1R,2S,5R)-5-(cyclopenten-1-ylmethyl)-1-hydroxy-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide is sourced from PubChem (CID 147800336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).