2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid

C13H19NO3 — CID 94687146

IUPAC2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid
SMILESCOc1ccccc1CCNC(C)(C)C(=O)O
InChIInChI=1S/C13H19NO3/c1-13(2,12(15)16)14-9-8-10-6-4-5-7-11(10)17-3/h4-7,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyDKVFBISGNCPTQX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.69
Rot. Bonds6

About 2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid

2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid (PubChem CID 94687146) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid
PubChem CID94687146
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid
SMILESCOc1ccccc1CCNC(C)(C)C(=O)O
InChIInChI=1S/C13H19NO3/c1-13(2,12(15)16)14-9-8-10-6-4-5-7-11(10)17-3/h4-7,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyDKVFBISGNCPTQX-UHFFFAOYSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid
CID 115128091
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115132209
2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 106262032
2-[2-(2,5-difluorophenyl)ethylamino]-2-methylpropanoic acid
CID 115128075
3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid
CID 60929115
3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
CID 106260825
2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 584158
tert-butyl 3-[2-(2-methoxyphenyl)ethylamino]propanoate
CID 106261776
3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 28514163
3-hydroxy-4-[2-(2-methoxyphenyl)ethylamino]butanoic acid
CID 106261779
2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]-2-oxoacetic acid
CID 94694724

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid (CID 94687146) is 2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid is COc1ccccc1CCNC(C)(C)C(=O)O.
What is the InChIKey of 2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid?
The InChIKey is DKVFBISGNCPTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,12(15)16)14-9-8-10-6-4-5-7-11(10)17-3/h4-7,14H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid?
2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 94687146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).