(3R,4S)-3-(2-amino-2-cyclobutylacetyl)-4-methylpyrrolidine-2,5-dione

C11H16N2O3 — CID 45093777

IUPAC(3R,4S)-3-(2-amino-2-cyclobutylacetyl)-4-methylpyrrolidine-2,5-dione
SMILESC[C@@H]1C(=O)NC(=O)[C@H]1C(=O)C(N)C1CCC1
InChIInChI=1S/C11H16N2O3/c1-5-7(11(16)13-10(5)15)9(14)8(12)6-3-2-4-6/h5-8H,2-4,12H2,1H3,(H,13,15,16)/t5-,7+,8?/m0/s1
InChIKeyUENSZCDXEUUPRG-LSBSRIOGSA-N
MW224.26 g/mol
LogP-0.41
Rot. Bonds3

About (3R,4S)-3-(2-amino-2-cyclobutylacetyl)-4-methylpyrrolidine-2,5-dione

(3R,4S)-3-(2-amino-2-cyclobutylacetyl)-4-methylpyrrolidine-2,5-dione (PubChem CID 45093777) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3R,4S)-3-(2-amino-2-cyclobutylacetyl)-4-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4S)-3-(2-amino-2-cyclobutylacetyl)-4-methylpyrrolidine-2,5-dione
PubChem CID45093777
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(3R,4S)-3-(2-amino-2-cyclobutylacetyl)-4-methylpyrrolidine-2,5-dione
SMILESC[C@@H]1C(=O)NC(=O)[C@H]1C(=O)C(N)C1CCC1
InChIInChI=1S/C11H16N2O3/c1-5-7(11(16)13-10(5)15)9(14)8(12)6-3-2-4-6/h5-8H,2-4,12H2,1H3,(H,13,15,16)/t5-,7+,8?/m0/s1
InChIKeyUENSZCDXEUUPRG-LSBSRIOGSA-N
XLogP-0.41
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(2-amino-2-cyclobutylacetyl)-4-methylpyrrolidine-2,5-dione?
The IUPAC name of (3R,4S)-3-(2-amino-2-cyclobutylacetyl)-4-methylpyrrolidine-2,5-dione (CID 45093777) is (3R,4S)-3-(2-amino-2-cyclobutylacetyl)-4-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4S)-3-(2-amino-2-cyclobutylacetyl)-4-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3R,4S)-3-(2-amino-2-cyclobutylacetyl)-4-methylpyrrolidine-2,5-dione is C[C@@H]1C(=O)NC(=O)[C@H]1C(=O)C(N)C1CCC1.
What is the InChIKey of (3R,4S)-3-(2-amino-2-cyclobutylacetyl)-4-methylpyrrolidine-2,5-dione?
The InChIKey is UENSZCDXEUUPRG-LSBSRIOGSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-5-7(11(16)13-10(5)15)9(14)8(12)6-3-2-4-6/h5-8H,2-4,12H2,1H3,(H,13,15,16)/t5-,7+,8?/m0/s1.
What are the key properties of (3R,4S)-3-(2-amino-2-cyclobutylacetyl)-4-methylpyrrolidine-2,5-dione?
(3R,4S)-3-(2-amino-2-cyclobutylacetyl)-4-methylpyrrolidine-2,5-dione has a molecular weight of 224.26 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(2-amino-2-cyclobutylacetyl)-4-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 45093777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).