2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid

C17H19NO2 — CID 106489346

IUPAC2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid
SMILESCc1ccccc1CC(CN)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13-7-5-6-8-14(13)11-17(12-18,16(19)20)15-9-3-2-4-10-15/h2-10H,11-12,18H2,1H3,(H,19,20)
InChIKeyKFCQUJAUVGRLLR-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.52
Rot. Bonds5

About 2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid

2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid (PubChem CID 106489346) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid
PubChem CID106489346
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid
SMILESCc1ccccc1CC(CN)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13-7-5-6-8-14(13)11-17(12-18,16(19)20)15-9-3-2-4-10-15/h2-10H,11-12,18H2,1H3,(H,19,20)
InChIKeyKFCQUJAUVGRLLR-UHFFFAOYSA-N
XLogP2.52
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid
CID 106490943
2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid
CID 106509102
2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid
CID 106489364
2-(aminomethyl)-3-(6-methyl-2-pyridinyl)-2-phenylpropanoic acid
CID 106489334
2-methyl-2-[(2-methylphenyl)methyl]butanoic acid
CID 62740104
2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid
CID 106489320
2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 106509265
2-(aminomethyl)-4,4-difluoro-2-phenylbutanoic acid
CID 106489296
3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol
CID 65392997
2-(aminomethyl)-5-hydroxy-4-methyl-2-phenylpentanoic acid
CID 106489383
2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid
CID 106509081
2-(aminomethyl)-4-ethoxy-2-phenylbutanoic acid
CID 106489363

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid?
The IUPAC name of 2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid (CID 106489346) is 2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid is Cc1ccccc1CC(CN)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid?
The InChIKey is KFCQUJAUVGRLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-7-5-6-8-14(13)11-17(12-18,16(19)20)15-9-3-2-4-10-15/h2-10H,11-12,18H2,1H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid?
2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid has a molecular weight of 269.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid is sourced from PubChem (CID 106489346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).