2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid

C15H21NO4 — CID 84749156

IUPAC2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(C(=O)O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-15(2,3)11-7-5-10(6-8-11)13(14(19)20)16(4)9-12(17)18/h5-8,13H,9H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyYHLVKHYJOPVHEK-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.13
Rot. Bonds5

About 2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid

2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid (PubChem CID 84749156) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid
PubChem CID84749156
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(C(=O)O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-15(2,3)11-7-5-10(6-8-11)13(14(19)20)16(4)9-12(17)18/h5-8,13H,9H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyYHLVKHYJOPVHEK-UHFFFAOYSA-N
XLogP2.13
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid
CID 84748660
2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid
CID 82216044
2-[acetyl(propan-2-yl)amino]-2-(4-tert-butylphenyl)acetic acid
CID 63703523
2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid
CID 79387422
2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid
CID 84749031
2-[[2-(4-tert-butylphenyl)-2-oxoacetyl]-methylamino]acetic acid
CID 167923178
2-[[2-amino-1-[4-(dimethylamino)phenyl]-2-sulfanylideneethyl]-methylamino]acetic acid
CID 84758204
3-[[carboxy-(4-hydroxyphenyl)methyl]-methylamino]propanoic acid
CID 84750142
2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid
CID 82345029
2-(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 20532744
(2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid
CID 129412348
magnesium;2-(4-tert-butylphenyl)propanedioic acid;hydride
CID 174967969

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid?
The IUPAC name of 2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid (CID 84749156) is 2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid is CN(CC(=O)O)C(C(=O)O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid?
The InChIKey is YHLVKHYJOPVHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2,3)11-7-5-10(6-8-11)13(14(19)20)16(4)9-12(17)18/h5-8,13H,9H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid?
2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid is sourced from PubChem (CID 84749156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).