(2,5-dioxopyrrolidin-1-yl) (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxopyrrol-1-yl]propanoate

C16H19N3O8 — CID 175183674

About (2,5-dioxopyrrolidin-1-yl) (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxopyrrol-1-yl]propanoate

(2,5-dioxopyrrolidin-1-yl) (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxopyrrol-1-yl]propanoate (PubChem CID 175183674) has the molecular formula C16H19N3O8 and a molecular weight of 381.34 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxopyrrol-1-yl]propanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxopyrrol-1-yl]propanoate
• PubChem CID: 175183674
• Molecular Formula: C16H19N3O8
• Molecular Weight: 381.34 g/mol
• Exact Mass: 381.12
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxopyrrol-1-yl]propanoate
• SMILES: C[C@@H](C(=O)ON1C(=O)CCC1=O)N1C(=O)C=C(NC(=O)OC(C)(C)C)C1=O
• InChI: InChI=1S/C16H19N3O8/c1-8(14(24)27-19-10(20)5-6-11(19)21)18-12(22)7-9(13(18)23)17-15(25)26-16(2,3)4/h7-8H,5-6H2,1-4H3,(H,17,25)/t8-/m0/s1
• InChIKey: WLDHSWBLMVUTTG-QMMMGPOBSA-N
• XLogP: -0.24
• TPSA: 139.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.34
LogP ≤ 5	-0.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxopyrrol-1-yl]propanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxopyrrol-1-yl]propanoate (CID 175183674) is (2,5-dioxopyrrolidin-1-yl) (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxopyrrol-1-yl]propanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxopyrrol-1-yl]propanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxopyrrol-1-yl]propanoate is C[C@@H](C(=O)ON1C(=O)CCC1=O)N1C(=O)C=C(NC(=O)OC(C)(C)C)C1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxopyrrol-1-yl]propanoate?

The InChIKey is WLDHSWBLMVUTTG-QMMMGPOBSA-N. The full InChI is InChI=1S/C16H19N3O8/c1-8(14(24)27-19-10(20)5-6-11(19)21)18-12(22)7-9(13(18)23)17-15(25)26-16(2,3)4/h7-8H,5-6H2,1-4H3,(H,17,25)/t8-/m0/s1.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxopyrrol-1-yl]propanoate?

(2,5-dioxopyrrolidin-1-yl) (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxopyrrol-1-yl]propanoate has a molecular weight of 381.34 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxopyrrol-1-yl]propanoate is sourced from PubChem (CID 175183674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).