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

C16H19N3O8 — CID 118025292

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(C)(C)OC(=O)NCC(C(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C16H19N3O8/c1-16(2,3)26-15(25)17-8-9(18-10(20)4-5-11(18)21)14(24)27-19-12(22)6-7-13(19)23/h4-5,9H,6-8H2,1-3H3,(H,17,25)
InChIKeyNNUFGAKJIDSIFG-UHFFFAOYSA-N
MW381.34 g/mol
LogP-0.59
Rot. Bonds5

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

(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 118025292) has the molecular formula C16H19N3O8 and a molecular weight of 381.34 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID118025292
Molecular FormulaC16H19N3O8
Molecular Weight381.34 g/mol
Exact Mass381.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(C)(C)OC(=O)NCC(C(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C16H19N3O8/c1-16(2,3)26-15(25)17-8-9(18-10(20)4-5-11(18)21)14(24)27-19-12(22)6-7-13(19)23/h4-5,9H,6-8H2,1-3H3,(H,17,25)
InChIKeyNNUFGAKJIDSIFG-UHFFFAOYSA-N
XLogP-0.59
TPSA139.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 118025292) is (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CC(C)(C)OC(=O)NCC(C(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is NNUFGAKJIDSIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O8/c1-16(2,3)26-15(25)17-8-9(18-10(20)4-5-11(18)21)14(24)27-19-12(22)6-7-13(19)23/h4-5,9H,6-8H2,1-3H3,(H,17,25).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 381.34 g/mol, XLogP of -0.59, 5 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) 2-(2,5-dioxopyrrol-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 118025292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).