2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid

C18H21NO2 — CID 106489364

IUPAC2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid
SMILESCc1cc(C)cc(CC(CN)(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-13-8-14(2)10-15(9-13)11-18(12-19,17(20)21)16-6-4-3-5-7-16/h3-10H,11-12,19H2,1-2H3,(H,20,21)
InChIKeyMVNYBPTTXRDYKL-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.83
Rot. Bonds5

About 2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid

2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid (PubChem CID 106489364) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid
PubChem CID106489364
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid
SMILESCc1cc(C)cc(CC(CN)(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-13-8-14(2)10-15(9-13)11-18(12-19,17(20)21)16-6-4-3-5-7-16/h3-10H,11-12,19H2,1-2H3,(H,20,21)
InChIKeyMVNYBPTTXRDYKL-UHFFFAOYSA-N
XLogP2.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid
CID 106489320
2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid
CID 106489346
2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid
CID 106490734
2-(aminomethyl)-3-(6-methyl-2-pyridinyl)-2-phenylpropanoic acid
CID 106489334
methyl 2-(aminomethyl)-3-(4-aminophenyl)-2-phenylpropanoate
CID 106489201
2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid
CID 106490943
2-(aminomethyl)-4,4-difluoro-2-phenylbutanoic acid
CID 106489296
2-(aminomethyl)-5-hydroxy-4-methyl-2-phenylpentanoic acid
CID 106489383
2-(aminomethyl)-3-methoxy-2-(3-methylphenyl)propanoic acid
CID 106490721
3-amino-2-phenyl-2-sulfanylpropanoic acid
CID 152609798
2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 106509265
2-(aminomethyl)-4-hydroxy-2-(3-methylphenyl)pentanoic acid
CID 106490768

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid?
The IUPAC name of 2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid (CID 106489364) is 2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid is Cc1cc(C)cc(CC(CN)(C(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid?
The InChIKey is MVNYBPTTXRDYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-8-14(2)10-15(9-13)11-18(12-19,17(20)21)16-6-4-3-5-7-16/h3-10H,11-12,19H2,1-2H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid?
2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid has a molecular weight of 283.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid is sourced from PubChem (CID 106489364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).