2-[(2R)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioic acid

C18H28N2O8 — CID 11795258

About 2-[(2R)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioic acid

2-[(2R)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioic acid (PubChem CID 11795258) has the molecular formula C18H28N2O8 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-[(2R)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioic acid.

Molecular Properties

• Compound Name: 2-[(2R)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioic acid
• PubChem CID: 11795258
• Molecular Formula: C18H28N2O8
• Molecular Weight: 400.43 g/mol
• Exact Mass: 400.18
• IUPAC Name: 2-[(2R)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioic acid
• SMILES: CC(C)C[C@@H](C(=O)N1C(=O)N(C)C[C@H]1C(=O)OC(C)(C)C)C(C(=O)O)C(=O)O
• InChI: InChI=1S/C18H28N2O8/c1-9(2)7-10(12(14(22)23)15(24)25)13(21)20-11(8-19(6)17(20)27)16(26)28-18(3,4)5/h9-12H,7-8H2,1-6H3,(H,22,23)(H,24,25)/t10-,11+/m1/s1
• InChIKey: QNYWMPZYHDVDTE-MNOVXSKESA-N
• XLogP: 1.04
• TPSA: 141.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.43
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[(2R)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioic acid (CID 11795258) is 2-[(2R)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioic acid.

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

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

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

The InChIKey is QNYWMPZYHDVDTE-MNOVXSKESA-N. The full InChI is InChI=1S/C18H28N2O8/c1-9(2)7-10(12(14(22)23)15(24)25)13(21)20-11(8-19(6)17(20)27)16(26)28-18(3,4)5/h9-12H,7-8H2,1-6H3,(H,22,23)(H,24,25)/t10-,11+/m1/s1.

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

2-[(2R)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioic acid has a molecular weight of 400.43 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioic acid is sourced from PubChem (CID 11795258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).