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

C12H20N2O3 — CID 59681963

IUPAC(3R,4S)-3-(2-amino-3-ethylpentanoyl)-4-methylpyrrolidine-2,5-dione
SMILESCCC(CC)C(N)C(=O)[C@@H]1C(=O)NC(=O)[C@H]1C
InChIInChI=1S/C12H20N2O3/c1-4-7(5-2)9(13)10(15)8-6(3)11(16)14-12(8)17/h6-9H,4-5,13H2,1-3H3,(H,14,16,17)/t6-,8+,9?/m0/s1
InChIKeyAISJCLMOGLPHHP-DZESUTGNSA-N
MW240.30 g/mol
LogP0.23
Rot. Bonds5

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

(3R,4S)-3-(2-amino-3-ethylpentanoyl)-4-methylpyrrolidine-2,5-dione (PubChem CID 59681963) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (3R,4S)-3-(2-amino-3-ethylpentanoyl)-4-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4S)-3-(2-amino-3-ethylpentanoyl)-4-methylpyrrolidine-2,5-dione
PubChem CID59681963
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(3R,4S)-3-(2-amino-3-ethylpentanoyl)-4-methylpyrrolidine-2,5-dione
SMILESCCC(CC)C(N)C(=O)[C@@H]1C(=O)NC(=O)[C@H]1C
InChIInChI=1S/C12H20N2O3/c1-4-7(5-2)9(13)10(15)8-6(3)11(16)14-12(8)17/h6-9H,4-5,13H2,1-3H3,(H,14,16,17)/t6-,8+,9?/m0/s1
InChIKeyAISJCLMOGLPHHP-DZESUTGNSA-N
XLogP0.23
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.23
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-3-ethylpentanoyl)-4-methylpyrrolidine-2,5-dione?
The IUPAC name of (3R,4S)-3-(2-amino-3-ethylpentanoyl)-4-methylpyrrolidine-2,5-dione (CID 59681963) is (3R,4S)-3-(2-amino-3-ethylpentanoyl)-4-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4S)-3-(2-amino-3-ethylpentanoyl)-4-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3R,4S)-3-(2-amino-3-ethylpentanoyl)-4-methylpyrrolidine-2,5-dione is CCC(CC)C(N)C(=O)[C@@H]1C(=O)NC(=O)[C@H]1C.
What is the InChIKey of (3R,4S)-3-(2-amino-3-ethylpentanoyl)-4-methylpyrrolidine-2,5-dione?
The InChIKey is AISJCLMOGLPHHP-DZESUTGNSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-7(5-2)9(13)10(15)8-6(3)11(16)14-12(8)17/h6-9H,4-5,13H2,1-3H3,(H,14,16,17)/t6-,8+,9?/m0/s1.
What are the key properties of (3R,4S)-3-(2-amino-3-ethylpentanoyl)-4-methylpyrrolidine-2,5-dione?
(3R,4S)-3-(2-amino-3-ethylpentanoyl)-4-methylpyrrolidine-2,5-dione has a molecular weight of 240.30 g/mol, XLogP of 0.23, 5 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-3-ethylpentanoyl)-4-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 59681963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).