(2,5-dioxopyrrolidin-1-yl) 6-[6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoylamino]hexanoate

C23H32N4O8 — CID 88583227

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-[6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoylamino]hexanoate
SMILESO=C(CCCCCNC(=O)CCN1C(=O)C=CC1=O)NCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C23H32N4O8/c28-17(24-14-6-2-4-8-23(34)35-27-21(32)11-12-22(27)33)7-3-1-5-15-25-18(29)13-16-26-19(30)9-10-20(26)31/h9-10H,1-8,11-16H2,(H,24,28)(H,25,29)
InChIKeyBIKSMXURUVXRPH-UHFFFAOYSA-N
MW492.53 g/mol
LogP0.26
Rot. Bonds16

About (2,5-dioxopyrrolidin-1-yl) 6-[6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoylamino]hexanoate

(2,5-dioxopyrrolidin-1-yl) 6-[6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoylamino]hexanoate (PubChem CID 88583227) has the molecular formula C23H32N4O8 and a molecular weight of 492.53 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoylamino]hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-[6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoylamino]hexanoate
PubChem CID88583227
Molecular FormulaC23H32N4O8
Molecular Weight492.53 g/mol
Exact Mass492.22
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoylamino]hexanoate
SMILESO=C(CCCCCNC(=O)CCN1C(=O)C=CC1=O)NCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C23H32N4O8/c28-17(24-14-6-2-4-8-23(34)35-27-21(32)11-12-22(27)33)7-3-1-5-15-25-18(29)13-16-26-19(30)9-10-20(26)31/h9-10H,1-8,11-16H2,(H,24,28)(H,25,29)
InChIKeyBIKSMXURUVXRPH-UHFFFAOYSA-N
XLogP0.26
TPSA159.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 50.26
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'}

Analyze (2,5-dioxopyrrolidin-1-yl) 6-[6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoylamino]hexanoate with MolForge

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Launch Full Analysis

Related Compounds

N-Succinimidyl 6-(3-Maleimidopropionamido) Hexanoate
CID 4170355
N-(6-Maleimidocaproyloxy)succinimide
CID 5091655
N-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)prop-2-enamide
CID 2762590
(2,5-Dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate
CID 20779687
(2,5-Dioxopyrrolidin-1-yl) 6-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
CID 23082419
[(4-Amino-4-oxobutanoyl)amino] 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 24763224
(2,5-dioxopyrrolidin-1-yl) (2S)-6-[(2-azidoacetyl)amino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
CID 44548119
6-[N-(6-Maleimidocaproyl)]caproic acid nhs
CID 56650501
(2,5-Dioxopyrrolidin-1-yl) 7-(2,5-dioxopyrrol-1-yl)-3-(methoxycarbonylamino)heptanoate
CID 57583335
(2-Methylidene-5-oxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
CID 68311818
(2,5-Dioxopyrrolidin-1-yl) 6-[(2-azidoacetyl)amino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
CID 75048092
(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate
CID 78323332

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoylamino]hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoylamino]hexanoate (CID 88583227) is (2,5-dioxopyrrolidin-1-yl) 6-[6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoylamino]hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoylamino]hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoylamino]hexanoate is O=C(CCCCCNC(=O)CCN1C(=O)C=CC1=O)NCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoylamino]hexanoate?
The InChIKey is BIKSMXURUVXRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O8/c28-17(24-14-6-2-4-8-23(34)35-27-21(32)11-12-22(27)33)7-3-1-5-15-25-18(29)13-16-26-19(30)9-10-20(26)31/h9-10H,1-8,11-16H2,(H,24,28)(H,25,29).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoylamino]hexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-[6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoylamino]hexanoate has a molecular weight of 492.53 g/mol, XLogP of 0.26, 16 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) 6-[6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoylamino]hexanoate is sourced from PubChem (CID 88583227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).