2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid

C15H23NO3 — CID 117042024

IUPAC2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid
SMILESCCc1cc(CCN(C)C(C)C(=O)O)ccc1OC
InChIInChI=1S/C15H23NO3/c1-5-13-10-12(6-7-14(13)19-4)8-9-16(3)11(2)15(17)18/h6-7,10-11H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyJQMRSPSRSZNPBM-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.20
Rot. Bonds7

About 2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid

2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid (PubChem CID 117042024) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid
PubChem CID117042024
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid
SMILESCCc1cc(CCN(C)C(C)C(=O)O)ccc1OC
InChIInChI=1S/C15H23NO3/c1-5-13-10-12(6-7-14(13)19-4)8-9-16(3)11(2)15(17)18/h6-7,10-11H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyJQMRSPSRSZNPBM-UHFFFAOYSA-N
XLogP2.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic 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-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 117041938
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 117042003
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 62638720
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride
CID 119913768
(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-ethylpropanamide
CID 8681988
3-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol
CID 115122415
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 62637971
3-[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]butanoic acid
CID 117042265
2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid
CID 112513636
2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid
CID 117042005
2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]acetonitrile
CID 115131363
2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040130

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid?
The IUPAC name of 2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid (CID 117042024) is 2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid?
The canonical SMILES for 2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid is CCc1cc(CCN(C)C(C)C(=O)O)ccc1OC.
What is the InChIKey of 2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid?
The InChIKey is JQMRSPSRSZNPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-13-10-12(6-7-14(13)19-4)8-9-16(3)11(2)15(17)18/h6-7,10-11H,5,8-9H2,1-4H3,(H,17,18).
What are the key properties of 2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid?
2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid is sourced from PubChem (CID 117042024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).