2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid

C15H23N3O3 — CID 82344814

IUPAC2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid
SMILESCCOc1ccc(C(NN2CCN(C)CC2)C(=O)O)cc1
InChIInChI=1S/C15H23N3O3/c1-3-21-13-6-4-12(5-7-13)14(15(19)20)16-18-10-8-17(2)9-11-18/h4-7,14,16H,3,8-11H2,1-2H3,(H,19,20)
InChIKeyVIVJOMMAUMMSKV-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.96
Rot. Bonds6

About 2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid

2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid (PubChem CID 82344814) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid
PubChem CID82344814
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid
SMILESCCOc1ccc(C(NN2CCN(C)CC2)C(=O)O)cc1
InChIInChI=1S/C15H23N3O3/c1-3-21-13-6-4-12(5-7-13)14(15(19)20)16-18-10-8-17(2)9-11-18/h4-7,14,16H,3,8-11H2,1-2H3,(H,19,20)
InChIKeyVIVJOMMAUMMSKV-UHFFFAOYSA-N
XLogP0.96
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine
CID 83009089
methyl 2-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetate
CID 82344743
3-(4-ethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanoic acid
CID 65419472
2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid
CID 82344792
N-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 44997030
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid
CID 60993501
2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid
CID 82344794
(2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid
CID 27378597
2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 82344798
(2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid
CID 27378601
3-[[carboxy-(4-ethoxyphenyl)methyl]-ethylamino]propanoic acid
CID 82345083
(1R,2S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
CID 125480881

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid (CID 82344814) is 2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid is CCOc1ccc(C(NN2CCN(C)CC2)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid?
The InChIKey is VIVJOMMAUMMSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-21-13-6-4-12(5-7-13)14(15(19)20)16-18-10-8-17(2)9-11-18/h4-7,14,16H,3,8-11H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid?
2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid is sourced from PubChem (CID 82344814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).