(3R)-3-tert-butyl-1-[(dimethylamino)methyl]pyrrolidine-2,5-dione

C11H20N2O2 — CID 134565058

IUPAC(3R)-3-tert-butyl-1-[(dimethylamino)methyl]pyrrolidine-2,5-dione
SMILESCN(C)CN1C(=O)C[C@H](C(C)(C)C)C1=O
InChIInChI=1S/C11H20N2O2/c1-11(2,3)8-6-9(14)13(10(8)15)7-12(4)5/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyGDTHWGGEVRQABT-QMMMGPOBSA-N
MW212.29 g/mol
LogP0.93
Rot. Bonds2

About (3R)-3-tert-butyl-1-[(dimethylamino)methyl]pyrrolidine-2,5-dione

(3R)-3-tert-butyl-1-[(dimethylamino)methyl]pyrrolidine-2,5-dione (PubChem CID 134565058) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3R)-3-tert-butyl-1-[(dimethylamino)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-tert-butyl-1-[(dimethylamino)methyl]pyrrolidine-2,5-dione
PubChem CID134565058
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(3R)-3-tert-butyl-1-[(dimethylamino)methyl]pyrrolidine-2,5-dione
SMILESCN(C)CN1C(=O)C[C@H](C(C)(C)C)C1=O
InChIInChI=1S/C11H20N2O2/c1-11(2,3)8-6-9(14)13(10(8)15)7-12(4)5/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyGDTHWGGEVRQABT-QMMMGPOBSA-N
XLogP0.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(4-Methylpiperazin-1-yl)methyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 137633698
1-[(4-Methylpiperidin-1-yl)methyl]pyrrolidine-2,5-dione
CID 795211
3-Tert-butyl-1-methylpyrrolidine-2,5-dione
CID 14736437
1-[(3-Methylpiperidin-1-yl)methyl]pyrrolidine-2,5-dione
CID 3914881
3,4-Ditert-butyl-1-methylpyrrolidine-2,5-dione
CID 15050803
1-[3-(Dimethylamino)propyl]-3-(2,2-dimethylpropyl)-4-methylpyrrolidine-2,5-dione
CID 20692366
1-[(Dimethylamino)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 22954461
3,4-Diethyl-1,3,4-trimethylpyrrolidine-2,5-dione
CID 54209506
1-(2,2-Dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 58021036
1-(4,4-Dimethylpentyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 58114248
3-Tert-butyl-1-(4,4-dimethylpentyl)pyrrolidine-2,5-dione
CID 58436756
3,4-Ditert-butyl-1-propylpyrrolidine-2,5-dione
CID 59067686

Frequently Asked Questions

What is the IUPAC name of (3R)-3-tert-butyl-1-[(dimethylamino)methyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-tert-butyl-1-[(dimethylamino)methyl]pyrrolidine-2,5-dione (CID 134565058) is (3R)-3-tert-butyl-1-[(dimethylamino)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-tert-butyl-1-[(dimethylamino)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-tert-butyl-1-[(dimethylamino)methyl]pyrrolidine-2,5-dione is CN(C)CN1C(=O)C[C@H](C(C)(C)C)C1=O.
What is the InChIKey of (3R)-3-tert-butyl-1-[(dimethylamino)methyl]pyrrolidine-2,5-dione?
The InChIKey is GDTHWGGEVRQABT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)8-6-9(14)13(10(8)15)7-12(4)5/h8H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of (3R)-3-tert-butyl-1-[(dimethylamino)methyl]pyrrolidine-2,5-dione?
(3R)-3-tert-butyl-1-[(dimethylamino)methyl]pyrrolidine-2,5-dione has a molecular weight of 212.29 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-tert-butyl-1-[(dimethylamino)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 134565058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).