(Z)-but-2-enedioic acid;2-(2,2,4-trimethyl-5-oxoimidazolidin-1-yl)acetamide

C12H19N3O6 — CID 70348382

IUPAC(Z)-but-2-enedioic acid;2-(2,2,4-trimethyl-5-oxoimidazolidin-1-yl)acetamide
SMILESCC1NC(C)(C)N(CC(N)=O)C1=O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C8H15N3O2.C4H4O4/c1-5-7(13)11(4-6(9)12)8(2,3)10-5;5-3(6)1-2-4(7)8/h5,10H,4H2,1-3H3,(H2,9,12);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyUMFMFGSKQOWCOP-BTJKTKAUSA-N
MW301.30 g/mol
LogP-1.26
Rot. Bonds4

About (Z)-but-2-enedioic acid;2-(2,2,4-trimethyl-5-oxoimidazolidin-1-yl)acetamide

(Z)-but-2-enedioic acid;2-(2,2,4-trimethyl-5-oxoimidazolidin-1-yl)acetamide (PubChem CID 70348382) has the molecular formula C12H19N3O6 and a molecular weight of 301.30 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;2-(2,2,4-trimethyl-5-oxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;2-(2,2,4-trimethyl-5-oxoimidazolidin-1-yl)acetamide
PubChem CID70348382
Molecular FormulaC12H19N3O6
Molecular Weight301.30 g/mol
Exact Mass301.13
IUPAC Name(Z)-but-2-enedioic acid;2-(2,2,4-trimethyl-5-oxoimidazolidin-1-yl)acetamide
SMILESCC1NC(C)(C)N(CC(N)=O)C1=O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C8H15N3O2.C4H4O4/c1-5-7(13)11(4-6(9)12)8(2,3)10-5;5-3(6)1-2-4(7)8/h5,10H,4H2,1-3H3,(H2,9,12);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyUMFMFGSKQOWCOP-BTJKTKAUSA-N
XLogP-1.26
TPSA150.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;2-(2,2,4-trimethyl-5-oxoimidazolidin-1-yl)acetamide?
The IUPAC name of (Z)-but-2-enedioic acid;2-(2,2,4-trimethyl-5-oxoimidazolidin-1-yl)acetamide (CID 70348382) is (Z)-but-2-enedioic acid;2-(2,2,4-trimethyl-5-oxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for (Z)-but-2-enedioic acid;2-(2,2,4-trimethyl-5-oxoimidazolidin-1-yl)acetamide?
The canonical SMILES for (Z)-but-2-enedioic acid;2-(2,2,4-trimethyl-5-oxoimidazolidin-1-yl)acetamide is CC1NC(C)(C)N(CC(N)=O)C1=O.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;2-(2,2,4-trimethyl-5-oxoimidazolidin-1-yl)acetamide?
The InChIKey is UMFMFGSKQOWCOP-BTJKTKAUSA-N. The full InChI is InChI=1S/C8H15N3O2.C4H4O4/c1-5-7(13)11(4-6(9)12)8(2,3)10-5;5-3(6)1-2-4(7)8/h5,10H,4H2,1-3H3,(H2,9,12);1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;2-(2,2,4-trimethyl-5-oxoimidazolidin-1-yl)acetamide?
(Z)-but-2-enedioic acid;2-(2,2,4-trimethyl-5-oxoimidazolidin-1-yl)acetamide has a molecular weight of 301.30 g/mol, XLogP of -1.26, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;2-(2,2,4-trimethyl-5-oxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 70348382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).