methyl 3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate

C11H19NO3 — CID 175458024

IUPACmethyl 3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate
SMILESCOC(=O)CCC1CCC(C)(C)NC1=O
InChIInChI=1S/C11H19NO3/c1-11(2)7-6-8(10(14)12-11)4-5-9(13)15-3/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyXDJBOGRJMPNQEB-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.24
Rot. Bonds3

About methyl 3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate

methyl 3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate (PubChem CID 175458024) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate
PubChem CID175458024
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate
SMILESCOC(=O)CCC1CCC(C)(C)NC1=O
InChIInChI=1S/C11H19NO3/c1-11(2)7-6-8(10(14)12-11)4-5-9(13)15-3/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyXDJBOGRJMPNQEB-UHFFFAOYSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate?
The IUPAC name of methyl 3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate (CID 175458024) is methyl 3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate.
What is the SMILES notation for methyl 3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate?
The canonical SMILES for methyl 3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate is COC(=O)CCC1CCC(C)(C)NC1=O.
What is the InChIKey of methyl 3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate?
The InChIKey is XDJBOGRJMPNQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2)7-6-8(10(14)12-11)4-5-9(13)15-3/h8H,4-7H2,1-3H3,(H,12,14).
What are the key properties of methyl 3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate?
methyl 3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate has a molecular weight of 213.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate is sourced from PubChem (CID 175458024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).