(2,4,6-trimethylphenyl) 2-aminopropanoate

C12H17NO2 — CID 77308441

IUPAC(2,4,6-trimethylphenyl) 2-aminopropanoate
SMILESCc1cc(C)c(OC(=O)C(C)N)c(C)c1
InChIInChI=1S/C12H17NO2/c1-7-5-8(2)11(9(3)6-7)15-12(14)10(4)13/h5-6,10H,13H2,1-4H3
InChIKeyIDPGGETXAPKWNV-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.86
Rot. Bonds2

About (2,4,6-trimethylphenyl) 2-aminopropanoate

(2,4,6-trimethylphenyl) 2-aminopropanoate (PubChem CID 77308441) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2,4,6-trimethylphenyl) 2-aminopropanoate.

Molecular Properties

Compound Name(2,4,6-trimethylphenyl) 2-aminopropanoate
PubChem CID77308441
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2,4,6-trimethylphenyl) 2-aminopropanoate
SMILESCc1cc(C)c(OC(=O)C(C)N)c(C)c1
InChIInChI=1S/C12H17NO2/c1-7-5-8(2)11(9(3)6-7)15-12(14)10(4)13/h5-6,10H,13H2,1-4H3
InChIKeyIDPGGETXAPKWNV-UHFFFAOYSA-N
XLogP1.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,4,6-trimethylphenyl) 2-aminopropanoate 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

(2,4,6-trimethylphenyl) (2S)-2-aminopropanoate
CID 67529614
(2,4,6-trimethylphenyl) 2-amino-3-methylbutanoate
CID 82116665
(2,4,6-trimethylphenyl) 2-cyanopropanoate
CID 102373533
(2,4,6-trimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 2748449
(2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 868051
(2,4,6-trimethylphenyl) 2-fluoro-2-trimethylsilylacetate
CID 10978481
diethyl-[1-oxo-1-(2,4,6-trimethylphenoxy)propan-2-yl]azanium chloride
CID 16580
butane-2,3-diol;(2,4,6-trimethylphenyl) 2-oxo-2-(2,4,6-trimethylphenyl)acetate
CID 90416013
3-amino-3-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938050
bis[2-(1-methoxyethyl)-4,6-dimethylphenyl] carbonate
CID 90300394
(2,4,6-trimethylphenyl) N,N-diethylcarbamate
CID 122209777
(2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate
CID 116819193

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylphenyl) 2-aminopropanoate?
The IUPAC name of (2,4,6-trimethylphenyl) 2-aminopropanoate (CID 77308441) is (2,4,6-trimethylphenyl) 2-aminopropanoate.
What is the SMILES notation for (2,4,6-trimethylphenyl) 2-aminopropanoate?
The canonical SMILES for (2,4,6-trimethylphenyl) 2-aminopropanoate is Cc1cc(C)c(OC(=O)C(C)N)c(C)c1.
What is the InChIKey of (2,4,6-trimethylphenyl) 2-aminopropanoate?
The InChIKey is IDPGGETXAPKWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-7-5-8(2)11(9(3)6-7)15-12(14)10(4)13/h5-6,10H,13H2,1-4H3.
What are the key properties of (2,4,6-trimethylphenyl) 2-aminopropanoate?
(2,4,6-trimethylphenyl) 2-aminopropanoate has a molecular weight of 207.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylphenyl) 2-aminopropanoate is sourced from PubChem (CID 77308441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).