(2,5-dioxopyrrolidin-1-yl) 3-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]propanoate

C15H17N3O8 — CID 59163118

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]propanoate
SMILESO=C(CN1C(=O)C=CC1=O)NCCOCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H17N3O8/c19-10(9-17-11(20)1-2-12(17)21)16-6-8-25-7-5-15(24)26-18-13(22)3-4-14(18)23/h1-2H,3-9H2,(H,16,19)
InChIKeyMQOAHHQTANFQBO-UHFFFAOYSA-N
MW367.31 g/mol
LogP-1.96
Rot. Bonds9

About (2,5-dioxopyrrolidin-1-yl) 3-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]propanoate (PubChem CID 59163118) has the molecular formula C15H17N3O8 and a molecular weight of 367.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]propanoate
PubChem CID59163118
Molecular FormulaC15H17N3O8
Molecular Weight367.31 g/mol
Exact Mass367.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]propanoate
SMILESO=C(CN1C(=O)C=CC1=O)NCCOCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H17N3O8/c19-10(9-17-11(20)1-2-12(17)21)16-6-8-25-7-5-15(24)26-18-13(22)3-4-14(18)23/h1-2H,3-9H2,(H,16,19)
InChIKeyMQOAHHQTANFQBO-UHFFFAOYSA-N
XLogP-1.96
TPSA139.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 5-1.96
H-Bond Donors ≤ 51
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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Related Compounds

1-Maleinimido-3-oxo-7,10,13,16,19,22,25,28-octaoxa-4-azahentriacontan-31-oic acid succinimidyl ester
CID 57568672
Mal-PEG2-NHS ester
CID 59129882
Mal-amido--PEG12-NHS
CID 51340947
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
(2,5-Dioxopyrrolidin-1-yl) 3-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]propanoate
CID 51340883
O-[N-(3-Maleimidopropionyl)aminoethyl]-O'-[3-(N-succinimidyloxy)-3-oxopropyl]heptacosaethylene glycol
CID 51340913
(2,5-Dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 57773975
(2,5-Dioxopyrrol-1-yl) 4-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutanoate
CID 58332906
2,5-dioxopyrrolidin-1-yl 3-(2-(3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido)ethoxy)propanoate
CID 59257610
Mal-PEG1-NHS ester
CID 59992617
Mal-PEG4-NHS ester
CID 60146183

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]propanoate (CID 59163118) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]propanoate is O=C(CN1C(=O)C=CC1=O)NCCOCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]propanoate?
The InChIKey is MQOAHHQTANFQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O8/c19-10(9-17-11(20)1-2-12(17)21)16-6-8-25-7-5-15(24)26-18-13(22)3-4-14(18)23/h1-2H,3-9H2,(H,16,19).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]propanoate has a molecular weight of 367.31 g/mol, XLogP of -1.96, 9 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) 3-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]propanoate is sourced from PubChem (CID 59163118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).