2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethylphenyl)propanoic acid

C15H21NO2 — CID 106489743

IUPAC2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethylphenyl)propanoic acid
SMILESCc1ccc(CC(CN)(C(=O)O)C2CC2)cc1C
InChIInChI=1S/C15H21NO2/c1-10-3-4-12(7-11(10)2)8-15(9-16,14(17)18)13-5-6-13/h3-4,7,13H,5-6,8-9,16H2,1-2H3,(H,17,18)
InChIKeyZXKZFYRICAJGFT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.29
Rot. Bonds5

About 2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethylphenyl)propanoic acid

2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethylphenyl)propanoic acid (PubChem CID 106489743) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethylphenyl)propanoic acid
PubChem CID106489743
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethylphenyl)propanoic acid
SMILESCc1ccc(CC(CN)(C(=O)O)C2CC2)cc1C
InChIInChI=1S/C15H21NO2/c1-10-3-4-12(7-11(10)2)8-15(9-16,14(17)18)13-5-6-13/h3-4,7,13H,5-6,8-9,16H2,1-2H3,(H,17,18)
InChIKeyZXKZFYRICAJGFT-UHFFFAOYSA-N
XLogP2.29
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethylphenyl)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-(aminomethyl)-2-cyclopropyl-3-(5-ethylthiophen-2-yl)propanoic acid
CID 106489674
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3,4-dimethylphenyl)propanoate
CID 106489996
methyl 3-amino-2-[(4-amino-3-fluorophenyl)methyl]-2-cyclopropylpropanoate
CID 106489495
2-[(3,4-dimethylphenyl)methyl]-2-methylpentanoic acid
CID 62739730
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119575673
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
3-[(3,4-dimethylphenyl)methyl]-4-ethoxy-3-ethoxycarbonyl-4-oxobutanoic acid
CID 68578993
methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methoxy-5-methylphenyl)propanoate
CID 106489483
2-(aminomethyl)-2-cycloheptylpentanoic acid
CID 106488140
1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one
CID 24726480
2-(aminomethyl)-2-cyclopropyl-4-pyridin-3-ylbutanoic acid
CID 106489691
2-(aminomethyl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopropylpropanoic acid
CID 106489750

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethylphenyl)propanoic acid?
The IUPAC name of 2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethylphenyl)propanoic acid (CID 106489743) is 2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethylphenyl)propanoic acid is Cc1ccc(CC(CN)(C(=O)O)C2CC2)cc1C.
What is the InChIKey of 2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethylphenyl)propanoic acid?
The InChIKey is ZXKZFYRICAJGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-3-4-12(7-11(10)2)8-15(9-16,14(17)18)13-5-6-13/h3-4,7,13H,5-6,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethylphenyl)propanoic acid?
2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethylphenyl)propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethylphenyl)propanoic acid is sourced from PubChem (CID 106489743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).