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

C12H16N2O5 — CID 89095990

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-(2-methylprop-2-enoylamino)butanoate
SMILESC=C(C)C(=O)NCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H16N2O5/c1-8(2)12(18)13-7-3-4-11(17)19-14-9(15)5-6-10(14)16/h1,3-7H2,2H3,(H,13,18)
InChIKeyXVNLRSKCQVQMKN-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.07
Rot. Bonds6

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

(2,5-dioxopyrrolidin-1-yl) 4-(2-methylprop-2-enoylamino)butanoate (PubChem CID 89095990) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(2-methylprop-2-enoylamino)butanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-(2-methylprop-2-enoylamino)butanoate
PubChem CID89095990
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(2-methylprop-2-enoylamino)butanoate
SMILESC=C(C)C(=O)NCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H16N2O5/c1-8(2)12(18)13-7-3-4-11(17)19-14-9(15)5-6-10(14)16/h1,3-7H2,2H3,(H,13,18)
InChIKeyXVNLRSKCQVQMKN-UHFFFAOYSA-N
XLogP0.07
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.07
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'}

Analyze (2,5-dioxopyrrolidin-1-yl) 4-(2-methylprop-2-enoylamino)butanoate with MolForge

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Related Compounds

Nipam nas
CID 131730183
(2,5-Dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate
CID 11161120
(2,5-Dioxopyrrolidin-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate
CID 18671261
Methylamino 2-methylprop-2-enoate;pyrrolidin-2-one
CID 19425053
(2,5-Dioxopyrrolidin-1-yl) 3-(2-methylprop-2-enoylamino)propanoate
CID 19793079
(2,5-dioxopyrrolidin-1-yl) N-methanidylcarbamate;2-methylprop-2-en-1-one;yttrium
CID 60045391
N-(Methacryloyloxy)succinimide N-isopropylmethacrylamide
CID 86597983
(2,5-Dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)propanoate
CID 88585291
2,5-Dioxopyrrolidin-1-yl N-(2-methylprop-2-enoyl)glycinate
CID 102248477
(3-Methyl-2,5-dioxopyrrolidin-1-yl) 3-(2-methylprop-2-enoylamino)propanoate
CID 139619228
(3-Methyl-2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate
CID 139619242
Diazanium;4-(2-methylprop-2-enoylamino)butanoate;acetate
CID 140423865

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(2-methylprop-2-enoylamino)butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(2-methylprop-2-enoylamino)butanoate (CID 89095990) is (2,5-dioxopyrrolidin-1-yl) 4-(2-methylprop-2-enoylamino)butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(2-methylprop-2-enoylamino)butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(2-methylprop-2-enoylamino)butanoate is C=C(C)C(=O)NCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-(2-methylprop-2-enoylamino)butanoate?
The InChIKey is XVNLRSKCQVQMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-8(2)12(18)13-7-3-4-11(17)19-14-9(15)5-6-10(14)16/h1,3-7H2,2H3,(H,13,18).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(2-methylprop-2-enoylamino)butanoate?
(2,5-dioxopyrrolidin-1-yl) 4-(2-methylprop-2-enoylamino)butanoate has a molecular weight of 268.27 g/mol, XLogP of 0.07, 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-(2-methylprop-2-enoylamino)butanoate is sourced from PubChem (CID 89095990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).