2-(2-ethoxyphenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid

C19H30N2O3 — CID 83979097

IUPAC2-(2-ethoxyphenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid
SMILESCCOc1ccccc1C(C(=O)O)N1CCN(CC(C)C)CC1C
InChIInChI=1S/C19H30N2O3/c1-5-24-17-9-7-6-8-16(17)18(19(22)23)21-11-10-20(12-14(2)3)13-15(21)4/h6-9,14-15,18H,5,10-13H2,1-4H3,(H,22,23)
InChIKeyKLHJDUNFYXOVFU-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.87
Rot. Bonds7

About 2-(2-ethoxyphenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid

2-(2-ethoxyphenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid (PubChem CID 83979097) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid
PubChem CID83979097
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-(2-ethoxyphenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid
SMILESCCOc1ccccc1C(C(=O)O)N1CCN(CC(C)C)CC1C
InChIInChI=1S/C19H30N2O3/c1-5-24-17-9-7-6-8-16(17)18(19(22)23)21-11-10-20(12-14(2)3)13-15(21)4/h6-9,14-15,18H,5,10-13H2,1-4H3,(H,22,23)
InChIKeyKLHJDUNFYXOVFU-UHFFFAOYSA-N
XLogP2.87
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid
CID 83977772
2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)acetic acid
CID 83979102
1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 3646921
2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)acetic acid
CID 83977850
2-(2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine
CID 83974409
4-(2-ethoxyphenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 112765521
2-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)acetic acid
CID 83979954
1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid
CID 82216400
(2R)-2-(2-ethoxyphenyl)-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 97204701
3-(2-ethoxyphenyl)-2-fluorobutanoic acid
CID 81358272
2-(2-ethoxyphenyl)octanoic acid
CID 174447209
1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol
CID 62974390

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-(2-ethoxyphenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid (CID 83979097) is 2-(2-ethoxyphenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-(2-ethoxyphenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-(2-ethoxyphenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid is CCOc1ccccc1C(C(=O)O)N1CCN(CC(C)C)CC1C.
What is the InChIKey of 2-(2-ethoxyphenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid?
The InChIKey is KLHJDUNFYXOVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-5-24-17-9-7-6-8-16(17)18(19(22)23)21-11-10-20(12-14(2)3)13-15(21)4/h6-9,14-15,18H,5,10-13H2,1-4H3,(H,22,23).
What are the key properties of 2-(2-ethoxyphenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid?
2-(2-ethoxyphenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid has a molecular weight of 334.46 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 83979097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).