dimethyl 2-[(2S)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioate

C20H32N2O8 — CID 10836280

About dimethyl 2-[(2S)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioate

dimethyl 2-[(2S)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioate (PubChem CID 10836280) has the molecular formula C20H32N2O8 and a molecular weight of 428.48 g/mol. Its IUPAC name is dimethyl 2-[(2S)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioate.

Molecular Properties

• Compound Name: dimethyl 2-[(2S)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioate
• PubChem CID: 10836280
• Molecular Formula: C20H32N2O8
• Molecular Weight: 428.48 g/mol
• Exact Mass: 428.22
• IUPAC Name: dimethyl 2-[(2S)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioate
• SMILES: COC(=O)C(C(=O)OC)[C@H](CC(C)C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)OC(C)(C)C
• InChI: InChI=1S/C20H32N2O8/c1-11(2)9-12(14(17(25)28-7)18(26)29-8)15(23)22-13(10-21(6)19(22)27)16(24)30-20(3,4)5/h11-14H,9-10H2,1-8H3/t12-,13-/m0/s1
• InChIKey: GNMHHOIDSVHJKG-STQMWFEESA-N
• XLogP: 1.22
• TPSA: 119.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.48
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(2S)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioate?

The IUPAC name of dimethyl 2-[(2S)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioate (CID 10836280) is dimethyl 2-[(2S)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioate.

What is the SMILES notation for dimethyl 2-[(2S)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioate?

The canonical SMILES for dimethyl 2-[(2S)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioate is COC(=O)C(C(=O)OC)[C@H](CC(C)C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)OC(C)(C)C.

What is the InChIKey of dimethyl 2-[(2S)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioate?

The InChIKey is GNMHHOIDSVHJKG-STQMWFEESA-N. The full InChI is InChI=1S/C20H32N2O8/c1-11(2)9-12(14(17(25)28-7)18(26)29-8)15(23)22-13(10-21(6)19(22)27)16(24)30-20(3,4)5/h11-14H,9-10H2,1-8H3/t12-,13-/m0/s1.

What are the key properties of dimethyl 2-[(2S)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioate?

dimethyl 2-[(2S)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioate has a molecular weight of 428.48 g/mol, XLogP of 1.22, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl 2-[(2S)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioate is sourced from PubChem (CID 10836280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).