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

C17H21N3O7 — CID 23082419

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
SMILESCC(C(=O)NCCCCCC(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C17H21N3O7/c1-11(19-12(21)6-7-13(19)22)17(26)18-10-4-2-3-5-16(25)27-20-14(23)8-9-15(20)24/h6-7,11H,2-5,8-10H2,1H3,(H,18,26)
InChIKeyJIZIGMATQVGYQY-UHFFFAOYSA-N
MW379.37 g/mol
LogP-0.42
Rot. Bonds9

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

(2,5-dioxopyrrolidin-1-yl) 6-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate (PubChem CID 23082419) has the molecular formula C17H21N3O7 and a molecular weight of 379.37 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
PubChem CID23082419
Molecular FormulaC17H21N3O7
Molecular Weight379.37 g/mol
Exact Mass379.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
SMILESCC(C(=O)NCCCCCC(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C17H21N3O7/c1-11(19-12(21)6-7-13(19)22)17(26)18-10-4-2-3-5-16(25)27-20-14(23)8-9-15(20)24/h6-7,11H,2-5,8-10H2,1H3,(H,18,26)
InChIKeyJIZIGMATQVGYQY-UHFFFAOYSA-N
XLogP-0.42
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 5-0.42
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'}

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Related Compounds

N-Succinimidyl 6-(3-Maleimidopropionamido) Hexanoate
CID 4170355
(2,5-Dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)hexanoate
CID 19391139
(2,5-Dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate
CID 20779687
(2,5-Dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22603590
6-[2-(2,5-Dioxopyrrol-1-yl)propanoylamino]hexanoic acid
CID 23079593
(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) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-5-oxopentanoate
CID 57945520
1-Hydroxypyrrolidine-2,5-dione;2-(prop-2-enoylamino)hexanoic acid
CID 68116869
(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) 6-[[(2R)-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]hexanoate
CID 87255867

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate (CID 23082419) is (2,5-dioxopyrrolidin-1-yl) 6-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate is CC(C(=O)NCCCCCC(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate?
The InChIKey is JIZIGMATQVGYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O7/c1-11(19-12(21)6-7-13(19)22)17(26)18-10-4-2-3-5-16(25)27-20-14(23)8-9-15(20)24/h6-7,11H,2-5,8-10H2,1H3,(H,18,26).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate has a molecular weight of 379.37 g/mol, XLogP of -0.42, 9 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) 6-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate is sourced from PubChem (CID 23082419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).