2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid

C14H21NO3 — CID 55070744

IUPAC2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid
SMILESCCc1ccc(C(C)(NCCOC)C(=O)O)cc1
InChIInChI=1S/C14H21NO3/c1-4-11-5-7-12(8-6-11)14(2,13(16)17)15-9-10-18-3/h5-8,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyQTZONVJOKFOIGI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.78
Rot. Bonds7

About 2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid

2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid (PubChem CID 55070744) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid
PubChem CID55070744
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid
SMILESCCc1ccc(C(C)(NCCOC)C(=O)O)cc1
InChIInChI=1S/C14H21NO3/c1-4-11-5-7-12(8-6-11)14(2,13(16)17)15-9-10-18-3/h5-8,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyQTZONVJOKFOIGI-UHFFFAOYSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 62540156
2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55135242
2-(3-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 61340503
methyl 2-(2-methoxyethylamino)-2-phenylpropanoate
CID 62541706
2-(4-methoxyphenyl)-2-(propylamino)propanoic acid
CID 43754043
methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate
CID 60788368
2-(4-ethylphenyl)-4-methoxybutan-2-ol
CID 62543730
2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide
CID 62540328
2-(2-aminoethylamino)-2-(4-methoxyphenyl)propanoic acid
CID 114990603
ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 62541881
2-(2-methoxyethylamino)-2-(4-methylsulfonylphenyl)propanamide
CID 62541894
2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid
CID 60994370

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid?
The IUPAC name of 2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid (CID 55070744) is 2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid?
The canonical SMILES for 2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid is CCc1ccc(C(C)(NCCOC)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid?
The InChIKey is QTZONVJOKFOIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-11-5-7-12(8-6-11)14(2,13(16)17)15-9-10-18-3/h5-8,15H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid?
2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid has a molecular weight of 251.33 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid is sourced from PubChem (CID 55070744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).