(2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)propanoate

C10H12N2O5 — CID 88585261

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NC(C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H12N2O5/c1-3-7(13)11-6(2)10(16)17-12-8(14)4-5-9(12)15/h3,6H,1,4-5H2,2H3,(H,11,13)
InChIKeyDZWFSBRYYMPFST-UHFFFAOYSA-N
MW240.21 g/mol
LogP-0.72
Rot. Bonds4

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

(2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)propanoate (PubChem CID 88585261) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)propanoate
PubChem CID88585261
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NC(C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H12N2O5/c1-3-7(13)11-6(2)10(16)17-12-8(14)4-5-9(12)15/h3,6H,1,4-5H2,2H3,(H,11,13)
InChIKeyDZWFSBRYYMPFST-UHFFFAOYSA-N
XLogP-0.72
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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(2,5-Dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate
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2,5-Dioxopyrrolidin-1-yl N-acryloyl-beta-alaninate
CID 15576771
(2,5-dioxopyrrolidin-1-yl) (2S)-2-(2,5-dioxopyrrol-1-yl)propanoate
CID 18653285
(2,5-Dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 18673374
(2,5-Dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)butanoate
CID 19597164
(2,5-Dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate
CID 23166843
(2,5-Dioxopyrrolidin-1-yl) 2-acetamidopropanoate
CID 23245169
(2,5-Dioxopyrrolidin-1-yl) 2-formamidopropanoate
CID 54269232
2-Propenamide, N-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]-
CID 58220535

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)propanoate (CID 88585261) is (2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)propanoate is C=CC(=O)NC(C)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)propanoate?
The InChIKey is DZWFSBRYYMPFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-3-7(13)11-6(2)10(16)17-12-8(14)4-5-9(12)15/h3,6H,1,4-5H2,2H3,(H,11,13).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)propanoate?
(2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)propanoate has a molecular weight of 240.21 g/mol, XLogP of -0.72, 4 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) 2-(prop-2-enoylamino)propanoate is sourced from PubChem (CID 88585261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).