2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid

C16H18N2O3 — CID 82344800

IUPAC2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid
SMILESCCOc1ccc(C(NCc2cccnc2)C(=O)O)cc1
InChIInChI=1S/C16H18N2O3/c1-2-21-14-7-5-13(6-8-14)15(16(19)20)18-11-12-4-3-9-17-10-12/h3-10,15,18H,2,11H2,1H3,(H,19,20)
InChIKeyCBPPKMJLDCBCIA-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.40
Rot. Bonds7

About 2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid

2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid (PubChem CID 82344800) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid
PubChem CID82344800
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid
SMILESCCOc1ccc(C(NCc2cccnc2)C(=O)O)cc1
InChIInChI=1S/C16H18N2O3/c1-2-21-14-7-5-13(6-8-14)15(16(19)20)18-11-12-4-3-9-17-10-12/h3-10,15,18H,2,11H2,1H3,(H,19,20)
InChIKeyCBPPKMJLDCBCIA-UHFFFAOYSA-N
XLogP2.40
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 82344798
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid
CID 17382607
2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid
CID 82344792
N'-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)propanediamide
CID 108947690
2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid
CID 82344794
N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191396
2-(3-nitrophenyl)-2-(pyridin-3-ylmethylamino)acetic acid
CID 84747317
1-(2-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one
CID 82101045
(2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120510362
(2S)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120511819

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid (CID 82344800) is 2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid is CCOc1ccc(C(NCc2cccnc2)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid?
The InChIKey is CBPPKMJLDCBCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-21-14-7-5-13(6-8-14)15(16(19)20)18-11-12-4-3-9-17-10-12/h3-10,15,18H,2,11H2,1H3,(H,19,20).
What are the key properties of 2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid?
2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid has a molecular weight of 286.33 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid is sourced from PubChem (CID 82344800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).