3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride

C6H13Cl2N3O2 — CID 134691153

IUPAC3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride
SMILESCl.Cl.NCCNC1CC(=O)NC1=O
InChIInChI=1S/C6H11N3O2.2ClH/c7-1-2-8-4-3-5(10)9-6(4)11;;/h4,8H,1-3,7H2,(H,9,10,11);2*1H
InChIKeyMVKZABQTIFOXDF-UHFFFAOYSA-N
MW230.09 g/mol
LogP-1.21
Rot. Bonds3

About 3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride

3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride (PubChem CID 134691153) has the molecular formula C6H13Cl2N3O2 and a molecular weight of 230.09 g/mol. Its IUPAC name is 3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride.

Molecular Properties

Compound Name3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride
PubChem CID134691153
Molecular FormulaC6H13Cl2N3O2
Molecular Weight230.09 g/mol
Exact Mass229.04
IUPAC Name3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride
SMILESCl.Cl.NCCNC1CC(=O)NC1=O
InChIInChI=1S/C6H11N3O2.2ClH/c7-1-2-8-4-3-5(10)9-6(4)11;;/h4,8H,1-3,7H2,(H,9,10,11);2*1H
InChIKeyMVKZABQTIFOXDF-UHFFFAOYSA-N
XLogP-1.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride?
The IUPAC name of 3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride (CID 134691153) is 3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride.
What is the SMILES notation for 3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride?
The canonical SMILES for 3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride is Cl.Cl.NCCNC1CC(=O)NC1=O.
What is the InChIKey of 3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride?
The InChIKey is MVKZABQTIFOXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2.2ClH/c7-1-2-8-4-3-5(10)9-6(4)11;;/h4,8H,1-3,7H2,(H,9,10,11);2*1H.
What are the key properties of 3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride?
3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride has a molecular weight of 230.09 g/mol, XLogP of -1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride is sourced from PubChem (CID 134691153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).