2-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid

C16H24N2O3 — CID 61343282

IUPAC2-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid
SMILESCCOc1ccc(C(C)(C(=O)O)N2CCN(C)CC2)cc1
InChIInChI=1S/C16H24N2O3/c1-4-21-14-7-5-13(6-8-14)16(2,15(19)20)18-11-9-17(3)10-12-18/h5-8H,4,9-12H2,1-3H3,(H,19,20)
InChIKeyGONQVLLXABUPOQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.63
Rot. Bonds5

About 2-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid

2-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid (PubChem CID 61343282) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid
PubChem CID61343282
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid
SMILESCCOc1ccc(C(C)(C(=O)O)N2CCN(C)CC2)cc1
InChIInChI=1S/C16H24N2O3/c1-4-21-14-7-5-13(6-8-14)16(2,15(19)20)18-11-9-17(3)10-12-18/h5-8H,4,9-12H2,1-3H3,(H,19,20)
InChIKeyGONQVLLXABUPOQ-UHFFFAOYSA-N
XLogP1.63
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-2-piperazin-1-ylpropanamide
CID 60992132
2-ethoxy-2-(4-ethoxyphenyl)propanoic acid
CID 114990539
N-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 44997030
2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 43803260
3-(4-ethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanoic acid
CID 65419472
acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol
CID 175113858
2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid
CID 82344814
2-phenyl-2-piperidin-1-ylpropanoic acid
CID 43803809
2-(azepan-1-yl)-2-(4-bromophenyl)propanoic acid
CID 61057163
ethyl 3-(4-ethoxyphenyl)-3-hydroxybutanoate
CID 55071355
4-[(4-methylpiperazin-1-yl)methoxy]benzoic acid
CID 20993713
(4-ethoxyphenyl)-(4-methylpiperazin-1-yl)methanethione
CID 892521

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid (CID 61343282) is 2-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid is CCOc1ccc(C(C)(C(=O)O)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid?
The InChIKey is GONQVLLXABUPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-21-14-7-5-13(6-8-14)16(2,15(19)20)18-11-9-17(3)10-12-18/h5-8H,4,9-12H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid?
2-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 61343282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).