2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid

C16H23NO5 — CID 16642065

IUPAC2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid
SMILESCOc1ccc(OCC(=O)NC(C)C(=O)O)c(C(C)(C)C)c1
InChIInChI=1S/C16H23NO5/c1-10(15(19)20)17-14(18)9-22-13-7-6-11(21-5)8-12(13)16(2,3)4/h6-8,10H,9H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyYRJHJLWJYFOIFB-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.96
Rot. Bonds6

About 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid

2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid (PubChem CID 16642065) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid
PubChem CID16642065
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid
SMILESCOc1ccc(OCC(=O)NC(C)C(=O)O)c(C(C)(C)C)c1
InChIInChI=1S/C16H23NO5/c1-10(15(19)20)17-14(18)9-22-13-7-6-11(21-5)8-12(13)16(2,3)4/h6-8,10H,9H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyYRJHJLWJYFOIFB-UHFFFAOYSA-N
XLogP1.96
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide
CID 63576141
2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid
CID 16642061
(2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7722413
2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid
CID 16641722
(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 746811
2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid
CID 63039139
3-(2-tert-butyl-4-methoxyphenoxy)propanoic acid
CID 16771116
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
CID 54991092
2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104751738
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489494
(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid
CID 42254545

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid (CID 16642065) is 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid is COc1ccc(OCC(=O)NC(C)C(=O)O)c(C(C)(C)C)c1.
What is the InChIKey of 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid?
The InChIKey is YRJHJLWJYFOIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-10(15(19)20)17-14(18)9-22-13-7-6-11(21-5)8-12(13)16(2,3)4/h6-8,10H,9H2,1-5H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid?
2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid has a molecular weight of 309.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 16642065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).