2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid

C15H23NO4 — CID 63039139

IUPAC2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid
SMILESCOc1ccc(OCCC(N)C(=O)O)c(C(C)(C)C)c1
InChIInChI=1S/C15H23NO4/c1-15(2,3)11-9-10(19-4)5-6-13(11)20-8-7-12(16)14(17)18/h5-6,9,12H,7-8,16H2,1-4H3,(H,17,18)
InChIKeyAAWNFWRZBWOEON-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.17
Rot. Bonds6

About 2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid

2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid (PubChem CID 63039139) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid
PubChem CID63039139
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid
SMILESCOc1ccc(OCCC(N)C(=O)O)c(C(C)(C)C)c1
InChIInChI=1S/C15H23NO4/c1-15(2,3)11-9-10(19-4)5-6-13(11)20-8-7-12(16)14(17)18/h5-6,9,12H,7-8,16H2,1-4H3,(H,17,18)
InChIKeyAAWNFWRZBWOEON-UHFFFAOYSA-N
XLogP2.17
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-1-ol
CID 64805134
1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 64812535
3-(2-tert-butyl-4-methoxyphenoxy)propanoic acid
CID 16771116
4-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-3-ethoxybenzoic acid
CID 20988478
2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid
CID 16642065
2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide
CID 63576141
1-(3-bromopropoxy)-2-tert-butyl-4-methoxybenzene
CID 43135423
(2R)-2-amino-4-(2,5-dimethoxyphenyl)butanoic acid
CID 68733160
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine
CID 62038909
(2S)-2-amino-4-(4-fluoro-2-methylphenoxy)butanoic acid
CID 58987438
5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine
CID 65256212
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 60879729

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid?
The IUPAC name of 2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid (CID 63039139) is 2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid.
What is the SMILES notation for 2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid?
The canonical SMILES for 2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid is COc1ccc(OCCC(N)C(=O)O)c(C(C)(C)C)c1.
What is the InChIKey of 2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid?
The InChIKey is AAWNFWRZBWOEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)11-9-10(19-4)5-6-13(11)20-8-7-12(16)14(17)18/h5-6,9,12H,7-8,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid?
2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid has a molecular weight of 281.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid is sourced from PubChem (CID 63039139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).