2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]propanoic acid

C14H21NO2 — CID 115127969

IUPAC2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]propanoic acid
SMILESCc1cc(C)c(CNC(C)(C)C(=O)O)cc1C
InChIInChI=1S/C14H21NO2/c1-9-6-11(3)12(7-10(9)2)8-15-14(4,5)13(16)17/h6-7,15H,8H2,1-5H3,(H,16,17)
InChIKeyLACKAVITFJDNON-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.56
Rot. Bonds4

About 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]propanoic acid

2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]propanoic acid (PubChem CID 115127969) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]propanoic acid
PubChem CID115127969
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]propanoic acid
SMILESCc1cc(C)c(CNC(C)(C)C(=O)O)cc1C
InChIInChI=1S/C14H21NO2/c1-9-6-11(3)12(7-10(9)2)8-15-14(4,5)13(16)17/h6-7,15H,8H2,1-5H3,(H,16,17)
InChIKeyLACKAVITFJDNON-UHFFFAOYSA-N
XLogP2.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]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-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid
CID 115127967
2-methyl-2-[(2-methylphenyl)methylamino]propanoic acid
CID 18980609
2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide
CID 115190257
2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol
CID 64551186
1-tert-butyl-3-[(2,4,5-trimethylphenyl)methyl]urea
CID 110775170
3,3-dimethyl-4-[(2,4,5-trimethylphenyl)methylamino]butanoic acid
CID 115220342
2-(2,4,5-trimethylphenyl)acetohydrazide
CID 100523227
N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 110783031
2-sulfanyl-N-[(2,4,5-trimethylphenyl)methyl]acetamide
CID 115167183
2-[2-(5-bromo-2-methylphenyl)ethylamino]-2-methylpropanoic acid
CID 115128110
2-amino-3-[(2,4,5-trimethylphenyl)methylamino]propanoic acid
CID 115240689
2-[(4-bromothiophen-2-yl)methylamino]-2-methylpropanoic acid
CID 65263735

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]propanoic acid (CID 115127969) is 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]propanoic acid is Cc1cc(C)c(CNC(C)(C)C(=O)O)cc1C.
What is the InChIKey of 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]propanoic acid?
The InChIKey is LACKAVITFJDNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-6-11(3)12(7-10(9)2)8-15-14(4,5)13(16)17/h6-7,15H,8H2,1-5H3,(H,16,17).
What are the key properties of 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]propanoic acid?
2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]propanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]propanoic acid is sourced from PubChem (CID 115127969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).