2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid

C12H17NO3 — CID 82494584

IUPAC2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid
SMILESCOc1c(C)cc(C)cc1CNCC(=O)O
InChIInChI=1S/C12H17NO3/c1-8-4-9(2)12(16-3)10(5-8)6-13-7-11(14)15/h4-5,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyMYPKZOYDZORFJK-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.49
Rot. Bonds5

About 2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid

2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid (PubChem CID 82494584) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid
PubChem CID82494584
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid
SMILESCOc1c(C)cc(C)cc1CNCC(=O)O
InChIInChI=1S/C12H17NO3/c1-8-4-9(2)12(16-3)10(5-8)6-13-7-11(14)15/h4-5,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyMYPKZOYDZORFJK-UHFFFAOYSA-N
XLogP1.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxy-3,5-dimethylphenyl)methylamino]propan-2-one
CID 115234729
2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid
CID 112518242
ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane
CID 176965315
(2-methoxy-3,5-dimethylphenyl)methylcarbamothioic S-acid
CID 115169975
2-[(2,4,6-trimethylphenyl)methylamino]acetic acid
CID 43135215
2-[(4,5-dimethoxy-2-methylphenyl)methylamino]acetic acid
CID 43465736
(E)-4-[(2-methoxy-3,5-dimethylphenyl)methylamino]-4-oxobut-2-enoic acid
CID 115177212
1-[(5-chloro-2-methoxy-3-methylphenyl)methylamino]propan-2-one
CID 115234732
2-amino-3-[(2-methoxy-3,5-dimethylphenyl)methylamino]propan-1-ol
CID 115120568
2-(2-methoxy-3,5-dimethylphenyl)acetamide
CID 82491159
2-[(2,6-dimethoxy-4-methylphenyl)methylamino]acetic acid;ethane
CID 145435875
1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222255

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid?
The IUPAC name of 2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid (CID 82494584) is 2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid?
The canonical SMILES for 2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid is COc1c(C)cc(C)cc1CNCC(=O)O.
What is the InChIKey of 2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid?
The InChIKey is MYPKZOYDZORFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-4-9(2)12(16-3)10(5-8)6-13-7-11(14)15/h4-5,13H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid?
2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid has a molecular weight of 223.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid is sourced from PubChem (CID 82494584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).