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

C9H10N2O5 — CID 58220535

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)acetate
SMILESC=CC(=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H10N2O5/c1-2-6(12)10-5-9(15)16-11-7(13)3-4-8(11)14/h2H,1,3-5H2,(H,10,12)
InChIKeyDXCRRFIMJGSOTG-UHFFFAOYSA-N
MW226.19 g/mol
LogP-1.10
Rot. Bonds4

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

(2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)acetate (PubChem CID 58220535) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)acetate
PubChem CID58220535
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)acetate
SMILESC=CC(=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H10N2O5/c1-2-6(12)10-5-9(15)16-11-7(13)3-4-8(11)14/h2H,1,3-5H2,(H,10,12)
InChIKeyDXCRRFIMJGSOTG-UHFFFAOYSA-N
XLogP-1.10
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-1.10
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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CID 3299229
poly(N-isopropylacrylamide-N-n-butylacrylamide-N-acryloxysuccinimide)
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Nipam nas
CID 131730183
1-(((Allylamino)carbonyl)oxy)-2,5-pyrrolidinedione
CID 366403
Ac-Gly-Osu
CID 11085151
(2,5-Dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate
CID 11161120
2,5-Dioxopyrrolidin-1-yl N-acryloyl-beta-alaninate
CID 15576771
(2,5-Dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate
CID 23166843
(2,5-Dioxopyrrolidin-1-yl) 2-(1-ethyl-2,5-dioxopyrrol-1-ium-1-yl)acetate
CID 59237936
(2,5-Dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 87683064
(2,5-Dioxopyrrolidin-1-yl) prop-2-enoate;pyrrolidin-2-one
CID 88198002
2,5-Dioxopyrrolidin-1-yl N-prop-2-enoylalaninate
CID 88585261

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)acetate (CID 58220535) is (2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)acetate is C=CC(=O)NCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)acetate?
The InChIKey is DXCRRFIMJGSOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c1-2-6(12)10-5-9(15)16-11-7(13)3-4-8(11)14/h2H,1,3-5H2,(H,10,12).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)acetate?
(2,5-dioxopyrrolidin-1-yl) 2-(prop-2-enoylamino)acetate has a molecular weight of 226.19 g/mol, XLogP of -1.10, 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)acetate is sourced from PubChem (CID 58220535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).