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

C12H22N2O3 — CID 79624900

IUPACmethyl 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanoate
SMILESCOC(=O)C(C)(C)CNC1CCC(=O)N(C)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,11(16)17-4)8-13-9-5-6-10(15)14(3)7-9/h9,13H,5-8H2,1-4H3
InChIKeyPQXOZRCPQVENEF-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.40
Rot. Bonds4

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

methyl 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanoate (PubChem CID 79624900) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanoate
PubChem CID79624900
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanoate
SMILESCOC(=O)C(C)(C)CNC1CCC(=O)N(C)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,11(16)17-4)8-13-9-5-6-10(15)14(3)7-9/h9,13H,5-8H2,1-4H3
InChIKeyPQXOZRCPQVENEF-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanoate (CID 79624900) is methyl 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanoate is COC(=O)C(C)(C)CNC1CCC(=O)N(C)C1.
What is the InChIKey of methyl 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanoate?
The InChIKey is PQXOZRCPQVENEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,11(16)17-4)8-13-9-5-6-10(15)14(3)7-9/h9,13H,5-8H2,1-4H3.
What are the key properties of methyl 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanoate?
methyl 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanoate has a molecular weight of 242.32 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanoate is sourced from PubChem (CID 79624900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).