1-[2-[ethyl-[2-(methylamino)ethyl]amino]ethyl]-3,4-dihydroxypyrrolidine-2,5-dione

C11H21N3O4 — CID 59987810

IUPAC1-[2-[ethyl-[2-(methylamino)ethyl]amino]ethyl]-3,4-dihydroxypyrrolidine-2,5-dione
SMILESCCN(CCNC)CCN1C(=O)C(O)C(O)C1=O
InChIInChI=1S/C11H21N3O4/c1-3-13(5-4-12-2)6-7-14-10(17)8(15)9(16)11(14)18/h8-9,12,15-16H,3-7H2,1-2H3
InChIKeyMRLMIPSHGDDBEK-UHFFFAOYSA-N
MW259.31 g/mol
LogP-2.38
Rot. Bonds7

About 1-[2-[ethyl-[2-(methylamino)ethyl]amino]ethyl]-3,4-dihydroxypyrrolidine-2,5-dione

1-[2-[ethyl-[2-(methylamino)ethyl]amino]ethyl]-3,4-dihydroxypyrrolidine-2,5-dione (PubChem CID 59987810) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[2-[ethyl-[2-(methylamino)ethyl]amino]ethyl]-3,4-dihydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[ethyl-[2-(methylamino)ethyl]amino]ethyl]-3,4-dihydroxypyrrolidine-2,5-dione
PubChem CID59987810
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name1-[2-[ethyl-[2-(methylamino)ethyl]amino]ethyl]-3,4-dihydroxypyrrolidine-2,5-dione
SMILESCCN(CCNC)CCN1C(=O)C(O)C(O)C1=O
InChIInChI=1S/C11H21N3O4/c1-3-13(5-4-12-2)6-7-14-10(17)8(15)9(16)11(14)18/h8-9,12,15-16H,3-7H2,1-2H3
InChIKeyMRLMIPSHGDDBEK-UHFFFAOYSA-N
XLogP-2.38
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-2.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl-[2-(methylamino)ethyl]amino]ethyl]-3,4-dihydroxypyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[ethyl-[2-(methylamino)ethyl]amino]ethyl]-3,4-dihydroxypyrrolidine-2,5-dione (CID 59987810) is 1-[2-[ethyl-[2-(methylamino)ethyl]amino]ethyl]-3,4-dihydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[ethyl-[2-(methylamino)ethyl]amino]ethyl]-3,4-dihydroxypyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[ethyl-[2-(methylamino)ethyl]amino]ethyl]-3,4-dihydroxypyrrolidine-2,5-dione is CCN(CCNC)CCN1C(=O)C(O)C(O)C1=O.
What is the InChIKey of 1-[2-[ethyl-[2-(methylamino)ethyl]amino]ethyl]-3,4-dihydroxypyrrolidine-2,5-dione?
The InChIKey is MRLMIPSHGDDBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-3-13(5-4-12-2)6-7-14-10(17)8(15)9(16)11(14)18/h8-9,12,15-16H,3-7H2,1-2H3.
What are the key properties of 1-[2-[ethyl-[2-(methylamino)ethyl]amino]ethyl]-3,4-dihydroxypyrrolidine-2,5-dione?
1-[2-[ethyl-[2-(methylamino)ethyl]amino]ethyl]-3,4-dihydroxypyrrolidine-2,5-dione has a molecular weight of 259.31 g/mol, XLogP of -2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl-[2-(methylamino)ethyl]amino]ethyl]-3,4-dihydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 59987810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).