2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]-methylamino]acetic acid

C12H15NO5 — CID 110837162

IUPAC2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]-methylamino]acetic acid
SMILESCc1c(O)cccc1OCC(=O)N(C)CC(=O)O
InChIInChI=1S/C12H15NO5/c1-8-9(14)4-3-5-10(8)18-7-11(15)13(2)6-12(16)17/h3-5,14H,6-7H2,1-2H3,(H,16,17)
InChIKeyOJANJAUNNLTKHH-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.62
Rot. Bonds5

About 2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]-methylamino]acetic acid

2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]-methylamino]acetic acid (PubChem CID 110837162) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]-methylamino]acetic acid
PubChem CID110837162
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]-methylamino]acetic acid
SMILESCc1c(O)cccc1OCC(=O)N(C)CC(=O)O
InChIInChI=1S/C12H15NO5/c1-8-9(14)4-3-5-10(8)18-7-11(15)13(2)6-12(16)17/h3-5,14H,6-7H2,1-2H3,(H,16,17)
InChIKeyOJANJAUNNLTKHH-UHFFFAOYSA-N
XLogP0.62
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid
CID 43239764
2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid
CID 43092155
2-[[2-(2,3-dimethylphenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8752558
2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115759697
2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid
CID 54898573
3-(2-chloroprop-2-enoxy)-2-methylphenol
CID 43143314
2-(3-ethyl-2-methylphenoxy)acetic acid
CID 165357581
2-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]acetic acid
CID 61022363
2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]amino]butanoic acid
CID 110837165
2-[[2-(2-benzylphenoxy)acetyl]-methylamino]acetamide
CID 56813072
2-(3-hydroxy-2-methylphenoxy)acetaldehyde
CID 86739690
2-[(2-methoxyacetyl)-methylamino]acetic acid
CID 16777253

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]-methylamino]acetic acid (CID 110837162) is 2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]-methylamino]acetic acid is Cc1c(O)cccc1OCC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]-methylamino]acetic acid?
The InChIKey is OJANJAUNNLTKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-8-9(14)4-3-5-10(8)18-7-11(15)13(2)6-12(16)17/h3-5,14H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]-methylamino]acetic acid?
2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]-methylamino]acetic acid has a molecular weight of 253.25 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]-methylamino]acetic acid is sourced from PubChem (CID 110837162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).