(2,5-dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate

C11H14N2O5 — CID 11161120

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate
SMILESC=CC(=O)NCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H14N2O5/c1-2-8(14)12-7-3-4-11(17)18-13-9(15)5-6-10(13)16/h2H,1,3-7H2,(H,12,14)
InChIKeyOJRRZIYQMANSFB-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.32
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate

(2,5-dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate (PubChem CID 11161120) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate
PubChem CID11161120
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate
SMILESC=CC(=O)NCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H14N2O5/c1-2-8(14)12-7-3-4-11(17)18-13-9(15)5-6-10(13)16/h2H,1,3-7H2,(H,12,14)
InChIKeyOJRRZIYQMANSFB-UHFFFAOYSA-N
XLogP-0.32
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.32
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'}

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Related Compounds

N-(gamma-Maleimidobutyryloxy)succinimide
CID 133440
poly(N-isopropylacrylamide-N-n-butylacrylamide-N-acryloxysuccinimide)
CID 3082923
N-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)prop-2-enamide
CID 2762590
Nipam nas
CID 131730183
1-(((Allylamino)carbonyl)oxy)-2,5-pyrrolidinedione
CID 366403
2,5-Dioxopyrrolidin-1-yl N-acryloyl-beta-alaninate
CID 15576771
(2,5-Dioxopyrrolidin-1-yl) 4-[6-(prop-2-enoylamino)hexanoylamino]butanoate
CID 23290647
2-Propenamide, N-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]-
CID 58220535
(2,5-Dioxopyrrolidin-1-yl) 4-acetamidobutanoate
CID 58669257
(2,5-Dioxopyrrolidin-1-yl) prop-2-enoate;pyrrolidin-2-one
CID 88198002
2,5-Dioxopyrrolidin-1-yl N-prop-2-enoylalaninate
CID 88585261
2,5-Dioxopyrrolidin-1-yl 3-(3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido)propanoate
CID 88917925

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate (CID 11161120) is (2,5-dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate is C=CC(=O)NCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate?
The InChIKey is OJRRZIYQMANSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-2-8(14)12-7-3-4-11(17)18-13-9(15)5-6-10(13)16/h2H,1,3-7H2,(H,12,14).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate?
(2,5-dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate has a molecular weight of 254.24 g/mol, XLogP of -0.32, 6 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) 4-(prop-2-enoylamino)butanoate is sourced from PubChem (CID 11161120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).