(2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)propanoate

C10H12N2O5 — CID 15576771

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H12N2O5/c1-2-7(13)11-6-5-10(16)17-12-8(14)3-4-9(12)15/h2H,1,3-6H2,(H,11,13)
InChIKeyGYRWHEGKHHSVKC-UHFFFAOYSA-N
MW240.21 g/mol
LogP-0.71
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)propanoate

(2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)propanoate (PubChem CID 15576771) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)propanoate
PubChem CID15576771
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H12N2O5/c1-2-7(13)11-6-5-10(16)17-12-8(14)3-4-9(12)15/h2H,1,3-6H2,(H,11,13)
InChIKeyGYRWHEGKHHSVKC-UHFFFAOYSA-N
XLogP-0.71
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.71
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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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)propanoate (CID 15576771) is (2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)propanoate is C=CC(=O)NCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)propanoate?
The InChIKey is GYRWHEGKHHSVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-2-7(13)11-6-5-10(16)17-12-8(14)3-4-9(12)15/h2H,1,3-6H2,(H,11,13).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)propanoate has a molecular weight of 240.21 g/mol, XLogP of -0.71, 5 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) 3-(prop-2-enoylamino)propanoate is sourced from PubChem (CID 15576771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).