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

C16H24N2O3 — CID 63703243

IUPAC2-[acetyl(propan-2-yl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid
SMILESCC(=O)N(C(C)C)C(C)(C(=O)O)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-11(2)18(12(3)19)16(4,15(20)21)13-7-9-14(10-8-13)17(5)6/h7-11H,1-6H3,(H,20,21)
InChIKeyATOPNTHWCMFDCP-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.31
Rot. Bonds5

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

2-[acetyl(propan-2-yl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid (PubChem CID 63703243) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[acetyl(propan-2-yl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[acetyl(propan-2-yl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid
PubChem CID63703243
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[acetyl(propan-2-yl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid
SMILESCC(=O)N(C(C)C)C(C)(C(=O)O)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-11(2)18(12(3)19)16(4,15(20)21)13-7-9-14(10-8-13)17(5)6/h7-11H,1-6H3,(H,20,21)
InChIKeyATOPNTHWCMFDCP-UHFFFAOYSA-N
XLogP2.31
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.31
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(propan-2-yl)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(propan-2-yl)amino]-2-(4-bromophenyl)propanoic acid
CID 55233393
2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid
CID 63701939
2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 54880722
2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid
CID 63704055
2-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]propanoic acid
CID 114994570
3,3,3-trideuterio-2-[4-(dimethylamino)phenyl]-2-(trideuteriomethyl)propanoic acid
CID 131667761
2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 54908415
2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]propanoic acid
CID 63705318
(2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
CID 97294233
(2R)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
CID 97294234
4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one
CID 30469812
2-[4-(dimethylamino)phenyl]-2-ethyl-3-oxobutanoic acid
CID 70413233

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propan-2-yl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid?
The IUPAC name of 2-[acetyl(propan-2-yl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid (CID 63703243) is 2-[acetyl(propan-2-yl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid.
What is the SMILES notation for 2-[acetyl(propan-2-yl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid?
The canonical SMILES for 2-[acetyl(propan-2-yl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid is CC(=O)N(C(C)C)C(C)(C(=O)O)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[acetyl(propan-2-yl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid?
The InChIKey is ATOPNTHWCMFDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)18(12(3)19)16(4,15(20)21)13-7-9-14(10-8-13)17(5)6/h7-11H,1-6H3,(H,20,21).
What are the key properties of 2-[acetyl(propan-2-yl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid?
2-[acetyl(propan-2-yl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propan-2-yl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid is sourced from PubChem (CID 63703243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).