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

C11H14N2O5 — CID 101133077

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)butanoate
SMILESC=CC(=O)NC(C)CC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H14N2O5/c1-3-8(14)12-7(2)6-11(17)18-13-9(15)4-5-10(13)16/h3,7H,1,4-6H2,2H3,(H,12,14)
InChIKeyWGRAHXXFPGULTK-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.33
Rot. Bonds5

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

(2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)butanoate (PubChem CID 101133077) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)butanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)butanoate
PubChem CID101133077
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)butanoate
SMILESC=CC(=O)NC(C)CC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H14N2O5/c1-3-8(14)12-7(2)6-11(17)18-13-9(15)4-5-10(13)16/h3,7H,1,4-6H2,2H3,(H,12,14)
InChIKeyWGRAHXXFPGULTK-UHFFFAOYSA-N
XLogP-0.33
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.33
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'}

Analyze (2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)butanoate with MolForge

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Related Compounds

poly(N-isopropylacrylamide-N-n-butylacrylamide-N-acryloxysuccinimide)
CID 3082923
Nipam nas
CID 131730183
(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) 3-(2-methylprop-2-enoylamino)propanoate
CID 19793079
(2,5-Dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)butanoate
CID 20082949
2-Propenamide, N-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]-
CID 58220535
N-(Methacryloyloxy)succinimide N-isopropylmethacrylamide
CID 86597983
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
1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide
CID 155125828
(2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;methane
CID 158073829

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)butanoate (CID 101133077) is (2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)butanoate is C=CC(=O)NC(C)CC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)butanoate?
The InChIKey is WGRAHXXFPGULTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-3-8(14)12-7(2)6-11(17)18-13-9(15)4-5-10(13)16/h3,7H,1,4-6H2,2H3,(H,12,14).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)butanoate?
(2,5-dioxopyrrolidin-1-yl) 3-(prop-2-enoylamino)butanoate has a molecular weight of 254.24 g/mol, XLogP of -0.33, 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)butanoate is sourced from PubChem (CID 101133077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).