(2,5-dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate

C17H21N3O7 — CID 20779687

IUPAC(2,5-dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate
SMILESO=C(CN1C(=O)C=CC1=O)NCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C17H21N3O7/c21-12(11-19-13(22)6-7-14(19)23)18-10-4-2-1-3-5-17(26)27-20-15(24)8-9-16(20)25/h6-7H,1-5,8-11H2,(H,18,21)
InChIKeyQUNXHNGHTDDWSB-UHFFFAOYSA-N
MW379.37 g/mol
LogP-0.41
Rot. Bonds10

About (2,5-dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate

(2,5-dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate (PubChem CID 20779687) has the molecular formula C17H21N3O7 and a molecular weight of 379.37 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate
PubChem CID20779687
Molecular FormulaC17H21N3O7
Molecular Weight379.37 g/mol
Exact Mass379.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate
SMILESO=C(CN1C(=O)C=CC1=O)NCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C17H21N3O7/c21-12(11-19-13(22)6-7-14(19)23)18-10-4-2-1-3-5-17(26)27-20-15(24)8-9-16(20)25/h6-7H,1-5,8-11H2,(H,18,21)
InChIKeyQUNXHNGHTDDWSB-UHFFFAOYSA-N
XLogP-0.41
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate with MolForge

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Related Compounds

N-Succinimidyl 6-(3-Maleimidopropionamido) Hexanoate
CID 4170355
11-(Maleimido)undecanoic acid N-succinimidyl ester
CID 5091658
N-Succinimidyl 6-[[4-(N-Maleimidomethyl)cyclohexyl]carboxamido]hexanoate
CID 3564731
2,5-dioxopyrrolidin-1-yl 8-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)octanoate
CID 5091657
(2,5-Dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate
CID 9976006
(2,5-Dioxopyrrolidin-1-yl) 12-(2,5-dioxopyrrol-1-yl)dodecanoate
CID 13421309
2,5-Dioxopyrrolidin-1-yl 7-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)heptanoate
CID 21646446
(2,5-Dioxopyrrolidin-1-yl) 6-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
CID 23082419
(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
(2,5-Dioxopyrrolidin-1-yl) 6-[(2-azidoacetyl)amino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
CID 75048092

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate (CID 20779687) is (2,5-dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate is O=C(CN1C(=O)C=CC1=O)NCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate?
The InChIKey is QUNXHNGHTDDWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O7/c21-12(11-19-13(22)6-7-14(19)23)18-10-4-2-1-3-5-17(26)27-20-15(24)8-9-16(20)25/h6-7H,1-5,8-11H2,(H,18,21).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate?
(2,5-dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate has a molecular weight of 379.37 g/mol, XLogP of -0.41, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate is sourced from PubChem (CID 20779687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).