2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid

C16H23NO4 — CID 16642061

IUPAC2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid
SMILESCc1ccc(C(C)(C)C)c(OCC(=O)NC(C)C(=O)O)c1
InChIInChI=1S/C16H23NO4/c1-10-6-7-12(16(3,4)5)13(8-10)21-9-14(18)17-11(2)15(19)20/h6-8,11H,9H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyXKSVVWUKRPSPGN-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.26
Rot. Bonds5

About 2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid

2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid (PubChem CID 16642061) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid
PubChem CID16642061
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid
SMILESCc1ccc(C(C)(C)C)c(OCC(=O)NC(C)C(=O)O)c1
InChIInChI=1S/C16H23NO4/c1-10-6-7-12(16(3,4)5)13(8-10)21-9-14(18)17-11(2)15(19)20/h6-8,11H,9H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyXKSVVWUKRPSPGN-UHFFFAOYSA-N
XLogP2.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide
CID 19168129
2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 16642134
2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 19165047
2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid
CID 16642065
2-(2-tert-butyl-5-methylphenoxy)-N-(4-fluorophenyl)acetamide
CID 675188
2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone
CID 43426881
2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid
CID 16641722
(2R)-2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoic acid
CID 54991090
N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide
CID 19169265
4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butanoic acid
CID 63039632
2-(2-tert-butyl-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 725942
2-(2-tert-butyl-5-methylphenoxy)-N-(2-ethylphenyl)acetamide
CID 19168145

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid (CID 16642061) is 2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid is Cc1ccc(C(C)(C)C)c(OCC(=O)NC(C)C(=O)O)c1.
What is the InChIKey of 2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid?
The InChIKey is XKSVVWUKRPSPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-10-6-7-12(16(3,4)5)13(8-10)21-9-14(18)17-11(2)15(19)20/h6-8,11H,9H2,1-5H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid?
2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 16642061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).