2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid

C15H22N2O3 — CID 63701939

IUPAC2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid
SMILESCCN(C(C)=O)C(C)(C(=O)O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-6-17(11(2)18)15(3,14(19)20)12-7-9-13(10-8-12)16(4)5/h7-10H,6H2,1-5H3,(H,19,20)
InChIKeyUFYBNVZZCHMUJJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.92
Rot. Bonds5

About 2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid

2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid (PubChem CID 63701939) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid
PubChem CID63701939
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid
SMILESCCN(C(C)=O)C(C)(C(=O)O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-6-17(11(2)18)15(3,14(19)20)12-7-9-13(10-8-12)16(4)5/h7-10H,6H2,1-5H3,(H,19,20)
InChIKeyUFYBNVZZCHMUJJ-UHFFFAOYSA-N
XLogP1.92
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]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-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid
CID 63703764
2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 54880722
2-[acetyl(ethyl)amino]-2-(4-propan-2-ylphenyl)propanoic acid
CID 63701433
2-[acetyl(propan-2-yl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid
CID 63703243
2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 63702442
2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 63701432
2-[4-(dimethylamino)phenyl]-2-ethyl-3-oxobutanoic acid
CID 70413233
2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid
CID 82238470
2-[acetyl(propyl)amino]-2-(3,4-difluorophenyl)propanoic acid
CID 63701384
2-(diethylamino)-2-(4-fluorophenyl)propanoic acid
CID 43803570
2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 54908415
2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid
CID 63701697

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid?
The IUPAC name of 2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid (CID 63701939) is 2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid.
What is the SMILES notation for 2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid?
The canonical SMILES for 2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid is CCN(C(C)=O)C(C)(C(=O)O)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid?
The InChIKey is UFYBNVZZCHMUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-6-17(11(2)18)15(3,14(19)20)12-7-9-13(10-8-12)16(4)5/h7-10H,6H2,1-5H3,(H,19,20).
What are the key properties of 2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid?
2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid is sourced from PubChem (CID 63701939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).