1-(1-amino-3-methylbutan-2-yl)-3-methylpyrrolidine-2,5-dione

C10H18N2O2 — CID 65191994

IUPAC1-(1-amino-3-methylbutan-2-yl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(C(CN)C(C)C)C1=O
InChIInChI=1S/C10H18N2O2/c1-6(2)8(5-11)12-9(13)4-7(3)10(12)14/h6-8H,4-5,11H2,1-3H3
InChIKeyLEAXBJJUIQIPDN-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.36
Rot. Bonds3

About 1-(1-amino-3-methylbutan-2-yl)-3-methylpyrrolidine-2,5-dione

1-(1-amino-3-methylbutan-2-yl)-3-methylpyrrolidine-2,5-dione (PubChem CID 65191994) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(1-amino-3-methylbutan-2-yl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1-amino-3-methylbutan-2-yl)-3-methylpyrrolidine-2,5-dione
PubChem CID65191994
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(1-amino-3-methylbutan-2-yl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(C(CN)C(C)C)C1=O
InChIInChI=1S/C10H18N2O2/c1-6(2)8(5-11)12-9(13)4-7(3)10(12)14/h6-8H,4-5,11H2,1-3H3
InChIKeyLEAXBJJUIQIPDN-UHFFFAOYSA-N
XLogP0.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1-amino-3-methylbutan-2-yl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(1-amino-3-methylbutan-2-yl)-3-methylpyrrolidine-2,5-dione (CID 65191994) is 1-(1-amino-3-methylbutan-2-yl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1-amino-3-methylbutan-2-yl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(1-amino-3-methylbutan-2-yl)-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(C(CN)C(C)C)C1=O.
What is the InChIKey of 1-(1-amino-3-methylbutan-2-yl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is LEAXBJJUIQIPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-6(2)8(5-11)12-9(13)4-7(3)10(12)14/h6-8H,4-5,11H2,1-3H3.
What are the key properties of 1-(1-amino-3-methylbutan-2-yl)-3-methylpyrrolidine-2,5-dione?
1-(1-amino-3-methylbutan-2-yl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 198.27 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-methylbutan-2-yl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 65191994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).