2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid

C14H21NO2 — CID 79624776

IUPAC2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid
SMILESCc1ccc(C(C)NCC(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H21NO2/c1-10-5-7-12(8-6-10)11(2)15-9-14(3,4)13(16)17/h5-8,11,15H,9H2,1-4H3,(H,16,17)
InChIKeyBAACIOZCLYDRMQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.76
Rot. Bonds5

About 2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid

2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid (PubChem CID 79624776) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid
PubChem CID79624776
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid
SMILESCc1ccc(C(C)NCC(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H21NO2/c1-10-5-7-12(8-6-10)11(2)15-9-14(3,4)13(16)17/h5-8,11,15H,9H2,1-4H3,(H,16,17)
InChIKeyBAACIOZCLYDRMQ-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]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

3-[1-(4-methoxyphenyl)ethylamino]-2,2-dimethylpropanoic acid
CID 79623366
2,2-dimethyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanoic acid
CID 79623844
acetic acid;(1S)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 91361825
2,2-dimethyl-3-(1-phenylethylamino)propanamide
CID 115667918
3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 103787637
methyl 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,2-dimethylpropanoate
CID 81348035
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 113436567
2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid
CID 103258828
N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide
CID 63859656
3-hydroxy-4-[1-(4-methylphenyl)ethylamino]butanoic acid
CID 103246096
4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine
CID 104628706
N,N-dimethyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetamide
CID 81355442

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid (CID 79624776) is 2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid is Cc1ccc(C(C)NCC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid?
The InChIKey is BAACIOZCLYDRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-5-7-12(8-6-10)11(2)15-9-14(3,4)13(16)17/h5-8,11,15H,9H2,1-4H3,(H,16,17).
What are the key properties of 2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid?
2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid is sourced from PubChem (CID 79624776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).