(2,5-dioxopyrrolidin-1-yl) 2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]propylamino]acetate

C17H24N4O6 — CID 126697736

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]propylamino]acetate
SMILESCC(CNCC(=O)ON1C(=O)CCC1=O)NCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H24N4O6/c1-12(19-8-2-3-9-20-13(22)4-5-14(20)23)10-18-11-17(26)27-21-15(24)6-7-16(21)25/h4-5,12,18-19H,2-3,6-11H2,1H3
InChIKeyWGPQYSIDXAZCEL-UHFFFAOYSA-N
MW380.40 g/mol
LogP-1.13
Rot. Bonds11

About (2,5-dioxopyrrolidin-1-yl) 2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]propylamino]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]propylamino]acetate (PubChem CID 126697736) has the molecular formula C17H24N4O6 and a molecular weight of 380.40 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]propylamino]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]propylamino]acetate
PubChem CID126697736
Molecular FormulaC17H24N4O6
Molecular Weight380.40 g/mol
Exact Mass380.17
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]propylamino]acetate
SMILESCC(CNCC(=O)ON1C(=O)CCC1=O)NCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H24N4O6/c1-12(19-8-2-3-9-20-13(22)4-5-14(20)23)10-18-11-17(26)27-21-15(24)6-7-16(21)25/h4-5,12,18-19H,2-3,6-11H2,1H3
InChIKeyWGPQYSIDXAZCEL-UHFFFAOYSA-N
XLogP-1.13
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[4-(2,5-dioxopyrrol-1-yl)butylamino]propylamino]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]propylamino]acetate (CID 126697736) is (2,5-dioxopyrrolidin-1-yl) 2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]propylamino]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]propylamino]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]propylamino]acetate is CC(CNCC(=O)ON1C(=O)CCC1=O)NCCCCN1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]propylamino]acetate?
The InChIKey is WGPQYSIDXAZCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O6/c1-12(19-8-2-3-9-20-13(22)4-5-14(20)23)10-18-11-17(26)27-21-15(24)6-7-16(21)25/h4-5,12,18-19H,2-3,6-11H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]propylamino]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]propylamino]acetate has a molecular weight of 380.40 g/mol, XLogP of -1.13, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]propylamino]acetate is sourced from PubChem (CID 126697736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).