(2,5-dioxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate

C13H18N2O5 — CID 2762590

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate
SMILESC=CC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H18N2O5/c1-2-10(16)14-9-5-3-4-6-13(19)20-15-11(17)7-8-12(15)18/h2H,1,3-9H2,(H,14,16)
InChIKeyAQKLDBRFLGEHCJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.46
Rot. Bonds8

About (2,5-dioxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate

(2,5-dioxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate (PubChem CID 2762590) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate
PubChem CID2762590
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate
SMILESC=CC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H18N2O5/c1-2-10(16)14-9-5-3-4-6-13(19)20-15-11(17)7-8-12(15)18/h2H,1,3-9H2,(H,14,16)
InChIKeyAQKLDBRFLGEHCJ-UHFFFAOYSA-N
XLogP0.46
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate with MolForge

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Related Compounds

N-Succinimidyl 6-(3-Maleimidopropionamido) Hexanoate
CID 4170355
N-(6-Maleimidocaproyloxy)succinimide
CID 5091655
(2,5-Dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexaneperoxoate
CID 9949147
(2,5-Dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate
CID 11161120
(2,5-Dioxopyrrolidin-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate
CID 18671261
(2,5-Dioxopyrrolidin-1-yl) 6-acetamidohexanoate
CID 22950254
(2,5-Dioxopyrrolidin-1-yl) 4-[6-(prop-2-enoylamino)hexanoylamino]butanoate
CID 23290647
[(4-Amino-4-oxobutanoyl)amino] 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 24763224
6-[N-(6-Maleimidocaproyl)]caproic acid nhs
CID 56650501
(2,5-Dioxopyrrolidin-1-yl) 6-(methylamino)hexanoate
CID 58019697
(2,5-Dioxopyrrolidin-1-yl) 11-(2-methylprop-2-enoylamino)undecanoate
CID 59537174
1-Hydroxypyrrolidine-2,5-dione;2-(prop-2-enoylamino)hexanoic acid
CID 68116869

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate (CID 2762590) is (2,5-dioxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate is C=CC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate?
The InChIKey is AQKLDBRFLGEHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-2-10(16)14-9-5-3-4-6-13(19)20-15-11(17)7-8-12(15)18/h2H,1,3-9H2,(H,14,16).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate has a molecular weight of 282.30 g/mol, XLogP of 0.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate is sourced from PubChem (CID 2762590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).