2-(4-ethylpiperazin-1-yl)-3-methoxy-2-methylpropanoic acid

C11H22N2O3 — CID 115000899

IUPAC2-(4-ethylpiperazin-1-yl)-3-methoxy-2-methylpropanoic acid
SMILESCCN1CCN(C(C)(COC)C(=O)O)CC1
InChIInChI=1S/C11H22N2O3/c1-4-12-5-7-13(8-6-12)11(2,9-16-3)10(14)15/h4-9H2,1-3H3,(H,14,15)
InChIKeyHTJOFWUITDUWTM-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.11
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-3-methoxy-2-methylpropanoic acid

2-(4-ethylpiperazin-1-yl)-3-methoxy-2-methylpropanoic acid (PubChem CID 115000899) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-3-methoxy-2-methylpropanoic acid
PubChem CID115000899
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-(4-ethylpiperazin-1-yl)-3-methoxy-2-methylpropanoic acid
SMILESCCN1CCN(C(C)(COC)C(=O)O)CC1
InChIInChI=1S/C11H22N2O3/c1-4-12-5-7-13(8-6-12)11(2,9-16-3)10(14)15/h4-9H2,1-3H3,(H,14,15)
InChIKeyHTJOFWUITDUWTM-UHFFFAOYSA-N
XLogP0.11
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-3-methoxy-2-methylpropanoic acid (CID 115000899) is 2-(4-ethylpiperazin-1-yl)-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-3-methoxy-2-methylpropanoic acid is CCN1CCN(C(C)(COC)C(=O)O)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-3-methoxy-2-methylpropanoic acid?
The InChIKey is HTJOFWUITDUWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-12-5-7-13(8-6-12)11(2,9-16-3)10(14)15/h4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-3-methoxy-2-methylpropanoic acid?
2-(4-ethylpiperazin-1-yl)-3-methoxy-2-methylpropanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 115000899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).