2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid

C13H19NO3 — CID 43753817

IUPAC2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid
SMILESCCNC(C)(C(=O)O)c1cc(C)ccc1OC
InChIInChI=1S/C13H19NO3/c1-5-14-13(3,12(15)16)10-8-9(2)6-7-11(10)17-4/h6-8,14H,5H2,1-4H3,(H,15,16)
InChIKeyNAFCEHUTAQMWMK-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.91
Rot. Bonds5

About 2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid

2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid (PubChem CID 43753817) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid
PubChem CID43753817
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid
SMILESCCNC(C)(C(=O)O)c1cc(C)ccc1OC
InChIInChI=1S/C13H19NO3/c1-5-14-13(3,12(15)16)10-8-9(2)6-7-11(10)17-4/h6-8,14H,5H2,1-4H3,(H,15,16)
InChIKeyNAFCEHUTAQMWMK-UHFFFAOYSA-N
XLogP1.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(ethylamino)-2-(2-methoxy-5-methylphenyl)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-(2-methoxy-5-methylphenyl)-2-(prop-2-enylamino)propanoic acid
CID 61341396
methyl 2-(2-methoxy-5-methylphenyl)-2-(prop-2-ynylamino)propanoate
CID 55062919
ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 60796294
2-[2-(dimethylamino)ethylamino]-2-(2-methoxy-5-methylphenyl)propanamide
CID 60992003
ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 61025042
ethyl 3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoate
CID 55071451
3-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 62796425
2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid
CID 114990557
2-(cyclohexylamino)-2-(2-methoxy-5-methylphenyl)propanamide
CID 60998168
2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoic acid
CID 79366441
2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid
CID 82128315
ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate
CID 5022792

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid?
The IUPAC name of 2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid (CID 43753817) is 2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid?
The canonical SMILES for 2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid is CCNC(C)(C(=O)O)c1cc(C)ccc1OC.
What is the InChIKey of 2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid?
The InChIKey is NAFCEHUTAQMWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-5-14-13(3,12(15)16)10-8-9(2)6-7-11(10)17-4/h6-8,14H,5H2,1-4H3,(H,15,16).
What are the key properties of 2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid?
2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid is sourced from PubChem (CID 43753817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).