acetic acid;1-(2-aminoethyl)pyrrole-2,5-dione

C8H12N2O4 — CID 162324049

IUPACacetic acid;1-(2-aminoethyl)pyrrole-2,5-dione
SMILESCC(=O)O.NCCN1C(=O)C=CC1=O
InChIInChI=1S/C6H8N2O2.C2H4O2/c7-3-4-8-5(9)1-2-6(8)10;1-2(3)4/h1-2H,3-4,7H2;1H3,(H,3,4)
InChIKeyRDBQDJDOHNVZJF-UHFFFAOYSA-N
MW200.19 g/mol
LogP-1.04
Rot. Bonds2

About acetic acid;1-(2-aminoethyl)pyrrole-2,5-dione

acetic acid;1-(2-aminoethyl)pyrrole-2,5-dione (PubChem CID 162324049) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is acetic acid;1-(2-aminoethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Nameacetic acid;1-(2-aminoethyl)pyrrole-2,5-dione
PubChem CID162324049
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Nameacetic acid;1-(2-aminoethyl)pyrrole-2,5-dione
SMILESCC(=O)O.NCCN1C(=O)C=CC1=O
InChIInChI=1S/C6H8N2O2.C2H4O2/c7-3-4-8-5(9)1-2-6(8)10;1-2(3)4/h1-2H,3-4,7H2;1H3,(H,3,4)
InChIKeyRDBQDJDOHNVZJF-UHFFFAOYSA-N
XLogP-1.04
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

n-(2-aminoethyl)maleimide, trifluoroacetate salt
CID 16212752
N,N'-Ethylenebis(maleamic Acid)
CID 11107943
1-(3-aminopropyl)-2,5-dihydro-1H-pyrrole-2,5-dione; trifluoroacetic acid
CID 57383513
N-(2-Aminoethyl)maleimide
CID 2778791
3-[2-(3-Carboxyprop-2-enoylamino)ethylcarbamoyl]prop-2-enoic acid
CID 6072570
[N-(2-maleimidoethyl)carbamoyl]methyl ether
CID 144319251
CID 240623
CID 240623
2-(2,5-Dioxopyrrol-1-yl)ethylazanium;2,2,2-trifluoroacetate
CID 2778790
N-(2-aminoethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 124091649
1-(4-Aminobutyl)-1H-pyrrole-2,5-dione 2,2,2-trifluoroacetate
CID 155487102
2-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid
CID 156064194
1-(2-Aminoethyl)pyrrole-2,5-dione;trifluoromethyl acetate
CID 158113829

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-(2-aminoethyl)pyrrole-2,5-dione?
The IUPAC name of acetic acid;1-(2-aminoethyl)pyrrole-2,5-dione (CID 162324049) is acetic acid;1-(2-aminoethyl)pyrrole-2,5-dione.
What is the SMILES notation for acetic acid;1-(2-aminoethyl)pyrrole-2,5-dione?
The canonical SMILES for acetic acid;1-(2-aminoethyl)pyrrole-2,5-dione is CC(=O)O.NCCN1C(=O)C=CC1=O.
What is the InChIKey of acetic acid;1-(2-aminoethyl)pyrrole-2,5-dione?
The InChIKey is RDBQDJDOHNVZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.C2H4O2/c7-3-4-8-5(9)1-2-6(8)10;1-2(3)4/h1-2H,3-4,7H2;1H3,(H,3,4).
What are the key properties of acetic acid;1-(2-aminoethyl)pyrrole-2,5-dione?
acetic acid;1-(2-aminoethyl)pyrrole-2,5-dione has a molecular weight of 200.19 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-(2-aminoethyl)pyrrole-2,5-dione is sourced from PubChem (CID 162324049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).