2-(aminomethyl)-4-(2,3,5-trimethylphenyl)pentanoic acid

C15H23NO2 — CID 69268125

IUPAC2-(aminomethyl)-4-(2,3,5-trimethylphenyl)pentanoic acid
SMILESCc1cc(C)c(C)c(C(C)CC(CN)C(=O)O)c1
InChIInChI=1S/C15H23NO2/c1-9-5-10(2)12(4)14(6-9)11(3)7-13(8-16)15(17)18/h5-6,11,13H,7-8,16H2,1-4H3,(H,17,18)
InChIKeyOZVCGEKBQORQSX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.76
Rot. Bonds5

About 2-(aminomethyl)-4-(2,3,5-trimethylphenyl)pentanoic acid

2-(aminomethyl)-4-(2,3,5-trimethylphenyl)pentanoic acid (PubChem CID 69268125) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(2,3,5-trimethylphenyl)pentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-4-(2,3,5-trimethylphenyl)pentanoic acid
PubChem CID69268125
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(aminomethyl)-4-(2,3,5-trimethylphenyl)pentanoic acid
SMILESCc1cc(C)c(C)c(C(C)CC(CN)C(=O)O)c1
InChIInChI=1S/C15H23NO2/c1-9-5-10(2)12(4)14(6-9)11(3)7-13(8-16)15(17)18/h5-6,11,13H,7-8,16H2,1-4H3,(H,17,18)
InChIKeyOZVCGEKBQORQSX-UHFFFAOYSA-N
XLogP2.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-4-(2,3,5-trimethylphenyl)pentanoic 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-amino-2-(2,3,5-trimethylphenyl)propanoic acid
CID 117296257
2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid
CID 69269941
2-(aminomethyl)-4-ethyl-6-(2,3,5-trimethylphenyl)hexanoic acid
CID 69270674
2-(aminomethyl)-4-(2,5-dichlorophenyl)pentanoic acid
CID 69267638
2-(aminomethyl)-4-(3,5-difluorophenyl)pentanoic acid
CID 69269835
2-amino-4-(2,3,5-trimethylphenyl)hexanoic acid
CID 174512676
2-(aminomethyl)-4-(2,4-dimethoxyphenyl)pentanoic acid
CID 69271867
2-(aminomethyl)-4-(2,3-dichlorophenyl)pentanoic acid
CID 69269444
2-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pentanoic acid
CID 69266892
2-(aminomethyl)-4-(2,3,4-trimethylphenyl)hexanoic acid
CID 69268153
2-(aminomethyl)-4-methyl-6-(2,3,6-trimethylphenyl)hexanoic acid
CID 69269511
1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol
CID 83942386

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(2,3,5-trimethylphenyl)pentanoic acid?
The IUPAC name of 2-(aminomethyl)-4-(2,3,5-trimethylphenyl)pentanoic acid (CID 69268125) is 2-(aminomethyl)-4-(2,3,5-trimethylphenyl)pentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-4-(2,3,5-trimethylphenyl)pentanoic acid?
The canonical SMILES for 2-(aminomethyl)-4-(2,3,5-trimethylphenyl)pentanoic acid is Cc1cc(C)c(C)c(C(C)CC(CN)C(=O)O)c1.
What is the InChIKey of 2-(aminomethyl)-4-(2,3,5-trimethylphenyl)pentanoic acid?
The InChIKey is OZVCGEKBQORQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-9-5-10(2)12(4)14(6-9)11(3)7-13(8-16)15(17)18/h5-6,11,13H,7-8,16H2,1-4H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-4-(2,3,5-trimethylphenyl)pentanoic acid?
2-(aminomethyl)-4-(2,3,5-trimethylphenyl)pentanoic acid has a molecular weight of 249.35 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-(aminomethyl)-4-(2,3,5-trimethylphenyl)pentanoic acid is sourced from PubChem (CID 69268125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).