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

C15H21NO4 — CID 16641722

IUPAC2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid
SMILESCC(NC(=O)COc1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-10(14(18)19)16-13(17)9-20-12-7-5-11(6-8-12)15(2,3)4/h5-8,10H,9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyNBQQWVWVIOWTMS-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.95
Rot. Bonds5

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

2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid (PubChem CID 16641722) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid
PubChem CID16641722
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid
SMILESCC(NC(=O)COc1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-10(14(18)19)16-13(17)9-20-12-7-5-11(6-8-12)15(2,3)4/h5-8,10H,9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyNBQQWVWVIOWTMS-UHFFFAOYSA-N
XLogP1.95
TPSA75.63 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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide
CID 53283030
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
(2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid
CID 119244504
(2R)-2-[[2-(4-cyanophenoxy)acetyl]amino]propanoic acid
CID 54990947
(2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 119943040
2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92685438
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid
CID 43170839
2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide
CID 58640419
(2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate
CID 9156981
2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid
CID 16642065
2-(4-tert-butylphenoxy)-N'-methylacetohydrazide
CID 116820676

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid (CID 16641722) is 2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid is CC(NC(=O)COc1ccc(C(C)(C)C)cc1)C(=O)O.
What is the InChIKey of 2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid?
The InChIKey is NBQQWVWVIOWTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(14(18)19)16-13(17)9-20-12-7-5-11(6-8-12)15(2,3)4/h5-8,10H,9H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid?
2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 16641722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).