2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate

C14H18NO4- — CID 9170941

IUPAC2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate
SMILESCC(C)(C)c1ccccc1OCC(=O)NCC(=O)[O-]
InChIInChI=1S/C14H19NO4/c1-14(2,3)10-6-4-5-7-11(10)19-9-12(16)15-8-13(17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)/p-1
InChIKeyYPDKOOMHZXVEBU-UHFFFAOYSA-M
MW264.30 g/mol
LogP0.23
Rot. Bonds5

About 2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate

2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate (PubChem CID 9170941) has the molecular formula C14H18NO4- and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate.

Molecular Properties

Compound Name2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate
PubChem CID9170941
Molecular FormulaC14H18NO4-
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Name2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate
SMILESCC(C)(C)c1ccccc1OCC(=O)NCC(=O)[O-]
InChIInChI=1S/C14H19NO4/c1-14(2,3)10-6-4-5-7-11(10)19-9-12(16)15-8-13(17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)/p-1
InChIKeyYPDKOOMHZXVEBU-UHFFFAOYSA-M
XLogP0.23
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

lithium 2-(2-tert-butylphenoxy)acetate
CID 19205698
N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560
3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide
CID 60551513
2-(2-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 54776459
2-(2-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 24536882
3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid
CID 119221548
6-[[2-(2-tert-butylphenoxy)acetyl]amino]hexanoic acid
CID 53263967
N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butylphenoxy)acetamide
CID 119523420
2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 31544159
2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7658830
2-(2-tert-butylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide
CID 24549137
2-(2-tert-butylphenoxy)acetamide
CID 17051379

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate?
The IUPAC name of 2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate (CID 9170941) is 2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate.
What is the SMILES notation for 2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate?
The canonical SMILES for 2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate is CC(C)(C)c1ccccc1OCC(=O)NCC(=O)[O-].
What is the InChIKey of 2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate?
The InChIKey is YPDKOOMHZXVEBU-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)10-6-4-5-7-11(10)19-9-12(16)15-8-13(17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)/p-1.
What are the key properties of 2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate?
2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate has a molecular weight of 264.30 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate is sourced from PubChem (CID 9170941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).