(2,5-dioxopyrrolidin-1-yl) (2R)-2-(2,5-dioxopyrrol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C15H17N3O8 — CID 139426376

About (2,5-dioxopyrrolidin-1-yl) (2R)-2-(2,5-dioxopyrrol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

(2,5-dioxopyrrolidin-1-yl) (2R)-2-(2,5-dioxopyrrol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 139426376) has the molecular formula C15H17N3O8 and a molecular weight of 367.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2R)-2-(2,5-dioxopyrrol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) (2R)-2-(2,5-dioxopyrrol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
• PubChem CID: 139426376
• Molecular Formula: C15H17N3O8
• Molecular Weight: 367.31 g/mol
• Exact Mass: 367.10
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) (2R)-2-(2,5-dioxopyrrol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
• SMILES: CC(C)(C)OC(=O)N[C@@H](C(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O
• InChI: InChI=1S/C15H17N3O8/c1-15(2,3)25-14(24)16-12(17-8(19)4-5-9(17)20)13(23)26-18-10(21)6-7-11(18)22/h4-5,12H,6-7H2,1-3H3,(H,16,24)/t12-/m1/s1
• InChIKey: OBPCYRKQJGTQRW-GFCCVEGCSA-N
• XLogP: -0.63
• TPSA: 139.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.31
LogP ≤ 5	-0.63
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) (2R)-2-(2,5-dioxopyrrol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2R)-2-(2,5-dioxopyrrol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 139426376) is (2,5-dioxopyrrolidin-1-yl) (2R)-2-(2,5-dioxopyrrol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

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

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2R)-2-(2,5-dioxopyrrol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(C)(C)OC(=O)N[C@@H](C(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O.

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

The InChIKey is OBPCYRKQJGTQRW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O8/c1-15(2,3)25-14(24)16-12(17-8(19)4-5-9(17)20)13(23)26-18-10(21)6-7-11(18)22/h4-5,12H,6-7H2,1-3H3,(H,16,24)/t12-/m1/s1.

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

(2,5-dioxopyrrolidin-1-yl) (2R)-2-(2,5-dioxopyrrol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 367.31 g/mol, XLogP of -0.63, 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) (2R)-2-(2,5-dioxopyrrol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 139426376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).