2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate

C15H20NO4- — CID 9157092

IUPAC2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate
SMILESCCC(C)(C)c1ccc(OCC(=O)NCC(=O)[O-])cc1
InChIInChI=1S/C15H21NO4/c1-4-15(2,3)11-5-7-12(8-6-11)20-10-13(17)16-9-14(18)19/h5-8H,4,9-10H2,1-3H3,(H,16,17)(H,18,19)/p-1
InChIKeyAYPOPBPCOIJMQT-UHFFFAOYSA-M
MW278.33 g/mol
LogP0.62
Rot. Bonds7

About 2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate

2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate (PubChem CID 9157092) has the molecular formula C15H20NO4- and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate.

Molecular Properties

Compound Name2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate
PubChem CID9157092
Molecular FormulaC15H20NO4-
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate
SMILESCCC(C)(C)c1ccc(OCC(=O)NCC(=O)[O-])cc1
InChIInChI=1S/C15H21NO4/c1-4-15(2,3)11-5-7-12(8-6-11)20-10-13(17)16-9-14(18)19/h5-8H,4,9-10H2,1-3H3,(H,16,17)(H,18,19)/p-1
InChIKeyAYPOPBPCOIJMQT-UHFFFAOYSA-M
XLogP0.62
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexadecyl-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093175
(2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate
CID 9156981
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 46761744
2-[[2-(4-fluorophenoxy)acetyl]amino]acetate
CID 7100216
2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid
CID 92923176
N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide
CID 17093425
N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093191
N-(4-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093193
N-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093194
N-(2-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093259
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 17093306
N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093244

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate?
The IUPAC name of 2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate (CID 9157092) is 2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate.
What is the SMILES notation for 2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate?
The canonical SMILES for 2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate is CCC(C)(C)c1ccc(OCC(=O)NCC(=O)[O-])cc1.
What is the InChIKey of 2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate?
The InChIKey is AYPOPBPCOIJMQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H21NO4/c1-4-15(2,3)11-5-7-12(8-6-11)20-10-13(17)16-9-14(18)19/h5-8H,4,9-10H2,1-3H3,(H,16,17)(H,18,19)/p-1.
What are the key properties of 2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate?
2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate has a molecular weight of 278.33 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate is sourced from PubChem (CID 9157092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).