3-[(3-ethyl-2-hydroxypentyl)amino]pyrrolidine-2,5-dione

C11H20N2O3 — CID 106285340

IUPAC3-[(3-ethyl-2-hydroxypentyl)amino]pyrrolidine-2,5-dione
SMILESCCC(CC)C(O)CNC1CC(=O)NC1=O
InChIInChI=1S/C11H20N2O3/c1-3-7(4-2)9(14)6-12-8-5-10(15)13-11(8)16/h7-9,12,14H,3-6H2,1-2H3,(H,13,15,16)
InChIKeyZCJBABJTNUNJNS-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.21
Rot. Bonds6

About 3-[(3-ethyl-2-hydroxypentyl)amino]pyrrolidine-2,5-dione

3-[(3-ethyl-2-hydroxypentyl)amino]pyrrolidine-2,5-dione (PubChem CID 106285340) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(3-ethyl-2-hydroxypentyl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3-ethyl-2-hydroxypentyl)amino]pyrrolidine-2,5-dione
PubChem CID106285340
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(3-ethyl-2-hydroxypentyl)amino]pyrrolidine-2,5-dione
SMILESCCC(CC)C(O)CNC1CC(=O)NC1=O
InChIInChI=1S/C11H20N2O3/c1-3-7(4-2)9(14)6-12-8-5-10(15)13-11(8)16/h7-9,12,14H,3-6H2,1-2H3,(H,13,15,16)
InChIKeyZCJBABJTNUNJNS-UHFFFAOYSA-N
XLogP-0.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.21
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-[(3-ethyl-2-hydroxypentyl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(3-ethyl-2-hydroxypentyl)amino]pyrrolidine-2,5-dione (CID 106285340) is 3-[(3-ethyl-2-hydroxypentyl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3-ethyl-2-hydroxypentyl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3-ethyl-2-hydroxypentyl)amino]pyrrolidine-2,5-dione is CCC(CC)C(O)CNC1CC(=O)NC1=O.
What is the InChIKey of 3-[(3-ethyl-2-hydroxypentyl)amino]pyrrolidine-2,5-dione?
The InChIKey is ZCJBABJTNUNJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-7(4-2)9(14)6-12-8-5-10(15)13-11(8)16/h7-9,12,14H,3-6H2,1-2H3,(H,13,15,16).
What are the key properties of 3-[(3-ethyl-2-hydroxypentyl)amino]pyrrolidine-2,5-dione?
3-[(3-ethyl-2-hydroxypentyl)amino]pyrrolidine-2,5-dione has a molecular weight of 228.29 g/mol, XLogP of -0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-2-hydroxypentyl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 106285340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).