methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate

C12H20N2O4 — CID 79624186

IUPACmethyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate
SMILESCOC(=O)C(C)(C)CNC1CCC(=O)N(C)C1=O
InChIInChI=1S/C12H20N2O4/c1-12(2,11(17)18-4)7-13-8-5-6-9(15)14(3)10(8)16/h8,13H,5-7H2,1-4H3
InChIKeyIQIHEAYAKRLVSY-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.08
Rot. Bonds4

About methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate

methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate (PubChem CID 79624186) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate
PubChem CID79624186
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Namemethyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate
SMILESCOC(=O)C(C)(C)CNC1CCC(=O)N(C)C1=O
InChIInChI=1S/C12H20N2O4/c1-12(2,11(17)18-4)7-13-8-5-6-9(15)14(3)10(8)16/h8,13H,5-7H2,1-4H3
InChIKeyIQIHEAYAKRLVSY-UHFFFAOYSA-N
XLogP-0.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate (CID 79624186) is methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate is COC(=O)C(C)(C)CNC1CCC(=O)N(C)C1=O.
What is the InChIKey of methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate?
The InChIKey is IQIHEAYAKRLVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(2,11(17)18-4)7-13-8-5-6-9(15)14(3)10(8)16/h8,13H,5-7H2,1-4H3.
What are the key properties of methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate?
methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate has a molecular weight of 256.30 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate is sourced from PubChem (CID 79624186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).