2-methyl-2-[(2-methylphenyl)methylamino]propanoic acid

C12H17NO2 — CID 18980609

IUPAC2-methyl-2-[(2-methylphenyl)methylamino]propanoic acid
SMILESCc1ccccc1CNC(C)(C)C(=O)O
InChIInChI=1S/C12H17NO2/c1-9-6-4-5-7-10(9)8-13-12(2,3)11(14)15/h4-7,13H,8H2,1-3H3,(H,14,15)
InChIKeyAZWGDALYJRMALT-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.95
Rot. Bonds4

About 2-methyl-2-[(2-methylphenyl)methylamino]propanoic acid

2-methyl-2-[(2-methylphenyl)methylamino]propanoic acid (PubChem CID 18980609) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylphenyl)methylamino]propanoic acid
PubChem CID18980609
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-methyl-2-[(2-methylphenyl)methylamino]propanoic acid
SMILESCc1ccccc1CNC(C)(C)C(=O)O
InChIInChI=1S/C12H17NO2/c1-9-6-4-5-7-10(9)8-13-12(2,3)11(14)15/h4-7,13H,8H2,1-3H3,(H,14,15)
InChIKeyAZWGDALYJRMALT-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]propanoic acid
CID 115127969
2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid
CID 65265422
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 110755430
3,3,3-trifluoro-2-methyl-2-[[2-(2-methylphenyl)acetyl]amino]propanoic acid
CID 79796402
2-(2-methylphenyl)acetic acid
CID 67440217
2,2-dimethyl-4-(2-methylphenyl)butanoic acid
CID 15063545
2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid
CID 115127967
4-methyl-3-[(2-methylphenyl)methylamino]benzoic acid
CID 17059873
3-methyl-2-[(2-methylphenyl)methylamino]benzoic acid
CID 107111894
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
2-methyl-2-[(2-methylphenyl)methyl]butanoic acid
CID 62740104

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylphenyl)methylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[(2-methylphenyl)methylamino]propanoic acid (CID 18980609) is 2-methyl-2-[(2-methylphenyl)methylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylphenyl)methylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methylphenyl)methylamino]propanoic acid is Cc1ccccc1CNC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylphenyl)methylamino]propanoic acid?
The InChIKey is AZWGDALYJRMALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-6-4-5-7-10(9)8-13-12(2,3)11(14)15/h4-7,13H,8H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-2-[(2-methylphenyl)methylamino]propanoic acid?
2-methyl-2-[(2-methylphenyl)methylamino]propanoic acid has a molecular weight of 207.27 g/mol, XLogP of 1.95, 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-methylphenyl)methylamino]propanoic acid is sourced from PubChem (CID 18980609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).