(3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methylpyrrolidine-2,5-dione

C10H16N2O3 — CID 10496333

IUPAC(3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methylpyrrolidine-2,5-dione
SMILESCC(C)[C@H](N)C(=O)[C@@H]1C(=O)NC(=O)[C@H]1C
InChIInChI=1S/C10H16N2O3/c1-4(2)7(11)8(13)6-5(3)9(14)12-10(6)15/h4-7H,11H2,1-3H3,(H,12,14,15)/t5-,6+,7-/m0/s1
InChIKeyXQPITZOBPSWQLW-XVMARJQXSA-N
MW212.25 g/mol
LogP-0.55
Rot. Bonds3

About (3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methylpyrrolidine-2,5-dione

(3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methylpyrrolidine-2,5-dione (PubChem CID 10496333) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methylpyrrolidine-2,5-dione
PubChem CID10496333
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methylpyrrolidine-2,5-dione
SMILESCC(C)[C@H](N)C(=O)[C@@H]1C(=O)NC(=O)[C@H]1C
InChIInChI=1S/C10H16N2O3/c1-4(2)7(11)8(13)6-5(3)9(14)12-10(6)15/h4-7H,11H2,1-3H3,(H,12,14,15)/t5-,6+,7-/m0/s1
InChIKeyXQPITZOBPSWQLW-XVMARJQXSA-N
XLogP-0.55
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.55
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-[(2S)-2-amino-3-methylbutanoyl]-4-methylpyrrolidine-2,5-dione?
The IUPAC name of (3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methylpyrrolidine-2,5-dione (CID 10496333) is (3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methylpyrrolidine-2,5-dione is CC(C)[C@H](N)C(=O)[C@@H]1C(=O)NC(=O)[C@H]1C.
What is the InChIKey of (3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methylpyrrolidine-2,5-dione?
The InChIKey is XQPITZOBPSWQLW-XVMARJQXSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4(2)7(11)8(13)6-5(3)9(14)12-10(6)15/h4-7H,11H2,1-3H3,(H,12,14,15)/t5-,6+,7-/m0/s1.
What are the key properties of (3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methylpyrrolidine-2,5-dione?
(3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methylpyrrolidine-2,5-dione has a molecular weight of 212.25 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 10496333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).