2-[tert-butyl-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid

C16H23NO4 — CID 79265320

IUPAC2-[tert-butyl-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid
SMILESCc1ccc(C)c(OCC(=O)N(CC(=O)O)C(C)(C)C)c1
InChIInChI=1S/C16H23NO4/c1-11-6-7-12(2)13(8-11)21-10-14(18)17(9-15(19)20)16(3,4)5/h6-8H,9-10H2,1-5H3,(H,19,20)
InChIKeyKJSOMSURWXAZJY-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.39
Rot. Bonds5

About 2-[tert-butyl-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid

2-[tert-butyl-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid (PubChem CID 79265320) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[tert-butyl-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid
PubChem CID79265320
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[tert-butyl-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid
SMILESCc1ccc(C)c(OCC(=O)N(CC(=O)O)C(C)(C)C)c1
InChIInChI=1S/C16H23NO4/c1-11-6-7-12(2)13(8-11)21-10-14(18)17(9-15(19)20)16(3,4)5/h6-8H,9-10H2,1-5H3,(H,19,20)
InChIKeyKJSOMSURWXAZJY-UHFFFAOYSA-N
XLogP2.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl-[2-(4-methylphenoxy)acetyl]amino]acetic acid
CID 79266539
2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid
CID 79266699
2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid
CID 107434278
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-tert-butylamino]acetic acid
CID 79262007
2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
N-benzyl-N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 891434
N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 113222109
3-[tert-butyl-[2-(2-methylphenoxy)acetyl]amino]propanoic acid
CID 60826805
ethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate
CID 146594255
2-[5-(2,5-dimethylphenoxy)pentanoyl-methylamino]acetic acid
CID 119172218
methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate
CID 61383302
2-[[2-(2,5-dimethylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 86997222

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid (CID 79265320) is 2-[tert-butyl-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid is Cc1ccc(C)c(OCC(=O)N(CC(=O)O)C(C)(C)C)c1.
What is the InChIKey of 2-[tert-butyl-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid?
The InChIKey is KJSOMSURWXAZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11-6-7-12(2)13(8-11)21-10-14(18)17(9-15(19)20)16(3,4)5/h6-8H,9-10H2,1-5H3,(H,19,20).
What are the key properties of 2-[tert-butyl-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid?
2-[tert-butyl-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 79265320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).