3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropanoic acid

C12H24N2O2 — CID 103352959

IUPAC3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropanoic acid
SMILESCCC1CCN(CC(C)C(=O)O)C(CN)C1
InChIInChI=1S/C12H24N2O2/c1-3-10-4-5-14(11(6-10)7-13)8-9(2)12(15)16/h9-11H,3-8,13H2,1-2H3,(H,15,16)
InChIKeyYZNYNDHLCPSCSJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.16
Rot. Bonds5

About 3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropanoic acid

3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropanoic acid (PubChem CID 103352959) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropanoic acid
PubChem CID103352959
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropanoic acid
SMILESCCC1CCN(CC(C)C(=O)O)C(CN)C1
InChIInChI=1S/C12H24N2O2/c1-3-10-4-5-14(11(6-10)7-13)8-9(2)12(15)16/h9-11H,3-8,13H2,1-2H3,(H,15,16)
InChIKeyYZNYNDHLCPSCSJ-UHFFFAOYSA-N
XLogP1.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropanoic acid (CID 103352959) is 3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropanoic acid is CCC1CCN(CC(C)C(=O)O)C(CN)C1.
What is the InChIKey of 3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropanoic acid?
The InChIKey is YZNYNDHLCPSCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-10-4-5-14(11(6-10)7-13)8-9(2)12(15)16/h9-11H,3-8,13H2,1-2H3,(H,15,16).
What are the key properties of 3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropanoic acid?
3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 103352959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).