2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid

C12H24N2O3 — CID 63620539

IUPAC2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid
SMILESCCOC(CN1CCN(CC)C(C)C1)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-14-7-6-13(8-10(14)3)9-11(12(15)16)17-5-2/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyHRSUEWKJHUBIFN-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.50
Rot. Bonds6

About 2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid

2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid (PubChem CID 63620539) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid
PubChem CID63620539
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid
SMILESCCOC(CN1CCN(CC)C(C)C1)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-14-7-6-13(8-10(14)3)9-11(12(15)16)17-5-2/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyHRSUEWKJHUBIFN-UHFFFAOYSA-N
XLogP0.50
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid (CID 63620539) is 2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid is CCOC(CN1CCN(CC)C(C)C1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid?
The InChIKey is HRSUEWKJHUBIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-14-7-6-13(8-10(14)3)9-11(12(15)16)17-5-2/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid?
2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 63620539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).