(2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethyl carbonate

C17H21N3O9 — CID 90324115

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethyl carbonate
SMILESO=C(CCN1C(=O)C=CC1=O)NCCCOCCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C17H21N3O9/c21-12(6-8-19-13(22)2-3-14(19)23)18-7-1-9-27-10-11-28-17(26)29-20-15(24)4-5-16(20)25/h2-3H,1,4-11H2,(H,18,21)
InChIKeyVXYNFAAZXZRYSZ-UHFFFAOYSA-N
MW411.37 g/mol
LogP-0.96
Rot. Bonds11

About (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethyl carbonate

(2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethyl carbonate (PubChem CID 90324115) has the molecular formula C17H21N3O9 and a molecular weight of 411.37 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethyl carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethyl carbonate
PubChem CID90324115
Molecular FormulaC17H21N3O9
Molecular Weight411.37 g/mol
Exact Mass411.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethyl carbonate
SMILESO=C(CCN1C(=O)C=CC1=O)NCCCOCCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C17H21N3O9/c21-12(6-8-19-13(22)2-3-14(19)23)18-7-1-9-27-10-11-28-17(26)29-20-15(24)4-5-16(20)25/h2-3H,1,4-11H2,(H,18,21)
InChIKeyVXYNFAAZXZRYSZ-UHFFFAOYSA-N
XLogP-0.96
TPSA148.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-Maleinimido-3-oxo-7,10,13,16,19,22,25,28-octaoxa-4-azahentriacontan-31-oic acid succinimidyl ester
CID 57568672
1-Maleinimido-3-oxo-7,10,13,16-tetraoxa-4-azanonadecan-19-oic acid succinimidyl ester
CID 51340950
2,5-Dioxopyrrolidin-1-yl 3-(2-(2-(3-(2,5-dioxo-2H-pyrrol-1(5H)-yl)propanamido)ethoxy)ethoxy)propanoate
CID 51340948
Poly(oxy-1,2-ethanediyl), I+/--[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-I-[2-[[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]ethoxy]-
CID 60053985
Mal-propionylamido-PEG2-NHS acetate
CID 117861606
(2,5-Dioxopyrrolidin-1-yl) 2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetate
CID 10142424
(E)-1-(2,5-dioxopyrrolidin-1-yl)oxy-2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]ethenolate
CID 59089563
2,5-dioxopyrrolidin-1-yl 3-(2-(3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido)ethoxy)propanoate
CID 59257610
(2,5-Dioxopyrrolidin-1-yl) 2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]-2-oxoethoxy]ethoxy]acetate
CID 59709155
(2,5-Dioxopyrrolidin-1-yl) 4-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]butanoate
CID 59863585
1-(2,5-Dioxopyrrolidin-1-yl)oxy-2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]ethenolate
CID 72513124
Mal-amido-PEG6-NHS
CID 77078209

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethyl carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethyl carbonate (CID 90324115) is (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethyl carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethyl carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethyl carbonate is O=C(CCN1C(=O)C=CC1=O)NCCCOCCOC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethyl carbonate?
The InChIKey is VXYNFAAZXZRYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O9/c21-12(6-8-19-13(22)2-3-14(19)23)18-7-1-9-27-10-11-28-17(26)29-20-15(24)4-5-16(20)25/h2-3H,1,4-11H2,(H,18,21).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethyl carbonate?
(2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethyl carbonate has a molecular weight of 411.37 g/mol, XLogP of -0.96, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethyl carbonate is sourced from PubChem (CID 90324115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).