(3R,4S)-3-(2,2-dimethylpropanoyl)-1-hydroxy-4-methylpyrrolidine-2,5-dione

C10H15NO4 — CID 10656213

IUPAC(3R,4S)-3-(2,2-dimethylpropanoyl)-1-hydroxy-4-methylpyrrolidine-2,5-dione
SMILESC[C@@H]1C(=O)N(O)C(=O)[C@H]1C(=O)C(C)(C)C
InChIInChI=1S/C10H15NO4/c1-5-6(7(12)10(2,3)4)9(14)11(15)8(5)13/h5-6,15H,1-4H3/t5-,6+/m0/s1
InChIKeyILLLRTMSIPOCQS-NTSWFWBYSA-N
MW213.23 g/mol
LogP0.61
Rot. Bonds1

About (3R,4S)-3-(2,2-dimethylpropanoyl)-1-hydroxy-4-methylpyrrolidine-2,5-dione

(3R,4S)-3-(2,2-dimethylpropanoyl)-1-hydroxy-4-methylpyrrolidine-2,5-dione (PubChem CID 10656213) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (3R,4S)-3-(2,2-dimethylpropanoyl)-1-hydroxy-4-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4S)-3-(2,2-dimethylpropanoyl)-1-hydroxy-4-methylpyrrolidine-2,5-dione
PubChem CID10656213
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(3R,4S)-3-(2,2-dimethylpropanoyl)-1-hydroxy-4-methylpyrrolidine-2,5-dione
SMILESC[C@@H]1C(=O)N(O)C(=O)[C@H]1C(=O)C(C)(C)C
InChIInChI=1S/C10H15NO4/c1-5-6(7(12)10(2,3)4)9(14)11(15)8(5)13/h5-6,15H,1-4H3/t5-,6+/m0/s1
InChIKeyILLLRTMSIPOCQS-NTSWFWBYSA-N
XLogP0.61
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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-(2,2-dimethylpropanoyl)-1-hydroxy-4-methylpyrrolidine-2,5-dione?
The IUPAC name of (3R,4S)-3-(2,2-dimethylpropanoyl)-1-hydroxy-4-methylpyrrolidine-2,5-dione (CID 10656213) is (3R,4S)-3-(2,2-dimethylpropanoyl)-1-hydroxy-4-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4S)-3-(2,2-dimethylpropanoyl)-1-hydroxy-4-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3R,4S)-3-(2,2-dimethylpropanoyl)-1-hydroxy-4-methylpyrrolidine-2,5-dione is C[C@@H]1C(=O)N(O)C(=O)[C@H]1C(=O)C(C)(C)C.
What is the InChIKey of (3R,4S)-3-(2,2-dimethylpropanoyl)-1-hydroxy-4-methylpyrrolidine-2,5-dione?
The InChIKey is ILLLRTMSIPOCQS-NTSWFWBYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-5-6(7(12)10(2,3)4)9(14)11(15)8(5)13/h5-6,15H,1-4H3/t5-,6+/m0/s1.
What are the key properties of (3R,4S)-3-(2,2-dimethylpropanoyl)-1-hydroxy-4-methylpyrrolidine-2,5-dione?
(3R,4S)-3-(2,2-dimethylpropanoyl)-1-hydroxy-4-methylpyrrolidine-2,5-dione has a molecular weight of 213.23 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(2,2-dimethylpropanoyl)-1-hydroxy-4-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 10656213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).