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

C12H17NO2 — CID 61412127

IUPAC2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
SMILESCc1ccccc1CN(C)C(C)C(=O)O
InChIInChI=1S/C12H17NO2/c1-9-6-4-5-7-11(9)8-13(3)10(2)12(14)15/h4-7,10H,8H2,1-3H3,(H,14,15)
InChIKeyLPVKRWWLUCXXOI-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.90
Rot. Bonds4

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

2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid (PubChem CID 61412127) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
PubChem CID61412127
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
SMILESCc1ccccc1CN(C)C(C)C(=O)O
InChIInChI=1S/C12H17NO2/c1-9-6-4-5-7-11(9)8-13(3)10(2)12(14)15/h4-7,10H,8H2,1-3H3,(H,14,15)
InChIKeyLPVKRWWLUCXXOI-UHFFFAOYSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid
CID 122036926
2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid
CID 65060241
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide
CID 63585176
(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375
2-[(5-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 105372419
N-cyclopropyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 71944218
2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid
CID 62627248
2-[(2-methylphenyl)methyl-methylsulfonylamino]propanoic acid
CID 82045184
2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913207
(2S)-2-[(2-ethoxyphenyl)methyl-methylamino]propanoic acid
CID 92930759
(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 26582952

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid (CID 61412127) is 2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid is Cc1ccccc1CN(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid?
The InChIKey is LPVKRWWLUCXXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-6-4-5-7-11(9)8-13(3)10(2)12(14)15/h4-7,10H,8H2,1-3H3,(H,14,15).
What are the key properties of 2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid?
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid has a molecular weight of 207.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid is sourced from PubChem (CID 61412127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).