methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate

C14H28N2O2 — CID 63159036

IUPACmethyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate
SMILESCCC1(C)CCN(CCC(C)(N)C(=O)OC)CC1
InChIInChI=1S/C14H28N2O2/c1-5-13(2)6-9-16(10-7-13)11-8-14(3,15)12(17)18-4/h5-11,15H2,1-4H3
InChIKeyZZCYHLXOKOFYLP-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.78
Rot. Bonds5

About methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate

methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate (PubChem CID 63159036) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate
PubChem CID63159036
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate
SMILESCCC1(C)CCN(CCC(C)(N)C(=O)OC)CC1
InChIInChI=1S/C14H28N2O2/c1-5-13(2)6-9-16(10-7-13)11-8-14(3,15)12(17)18-4/h5-11,15H2,1-4H3
InChIKeyZZCYHLXOKOFYLP-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate?
The IUPAC name of methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate (CID 63159036) is methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate.
What is the SMILES notation for methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate?
The canonical SMILES for methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate is CCC1(C)CCN(CCC(C)(N)C(=O)OC)CC1.
What is the InChIKey of methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate?
The InChIKey is ZZCYHLXOKOFYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-13(2)6-9-16(10-7-13)11-8-14(3,15)12(17)18-4/h5-11,15H2,1-4H3.
What are the key properties of methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate?
methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate has a molecular weight of 256.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate is sourced from PubChem (CID 63159036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).