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

C15H30N2O2 — CID 64703969

IUPACmethyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanoate
SMILESCCC1(C)CCN(C(C)CC(C)(N)C(=O)OC)CC1
InChIInChI=1S/C15H30N2O2/c1-6-14(3)7-9-17(10-8-14)12(2)11-15(4,16)13(18)19-5/h12H,6-11,16H2,1-5H3
InChIKeyHAKKYFKPNAUNCA-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.17
Rot. Bonds5

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

methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanoate (PubChem CID 64703969) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanoate
PubChem CID64703969
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanoate
SMILESCCC1(C)CCN(C(C)CC(C)(N)C(=O)OC)CC1
InChIInChI=1S/C15H30N2O2/c1-6-14(3)7-9-17(10-8-14)12(2)11-15(4,16)13(18)19-5/h12H,6-11,16H2,1-5H3
InChIKeyHAKKYFKPNAUNCA-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.17
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-methylpentanoate?
The IUPAC name of methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanoate (CID 64703969) is methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanoate.
What is the SMILES notation for methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanoate?
The canonical SMILES for methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanoate is CCC1(C)CCN(C(C)CC(C)(N)C(=O)OC)CC1.
What is the InChIKey of methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanoate?
The InChIKey is HAKKYFKPNAUNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-14(3)7-9-17(10-8-14)12(2)11-15(4,16)13(18)19-5/h12H,6-11,16H2,1-5H3.
What are the key properties of methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanoate?
methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanoate has a molecular weight of 270.42 g/mol, XLogP of 2.17, 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-methylpentanoate is sourced from PubChem (CID 64703969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).