2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate

C12H14NO4- — CID 7275245

IUPAC2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate
SMILESCc1ccc(OCC(=O)NCC(=O)[O-])c(C)c1
InChIInChI=1S/C12H15NO4/c1-8-3-4-10(9(2)5-8)17-7-11(14)13-6-12(15)16/h3-5H,6-7H2,1-2H3,(H,13,14)(H,15,16)/p-1
InChIKeySQYHWBMFHVCEMS-UHFFFAOYSA-M
MW236.25 g/mol
LogP-0.45
Rot. Bonds5

About 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate

2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate (PubChem CID 7275245) has the molecular formula C12H14NO4- and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate.

Molecular Properties

Compound Name2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate
PubChem CID7275245
Molecular FormulaC12H14NO4-
Molecular Weight236.25 g/mol
Exact Mass236.09
IUPAC Name2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate
SMILESCc1ccc(OCC(=O)NCC(=O)[O-])c(C)c1
InChIInChI=1S/C12H15NO4/c1-8-3-4-10(9(2)5-8)17-7-11(14)13-6-12(15)16/h3-5H,6-7H2,1-2H3,(H,13,14)(H,15,16)/p-1
InChIKeySQYHWBMFHVCEMS-UHFFFAOYSA-M
XLogP-0.45
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide
CID 62399924
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914299
(2R)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 9157169
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide
CID 108571573
N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 965412
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 48501810
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7809229
N'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide
CID 912611
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate?
The IUPAC name of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate (CID 7275245) is 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate.
What is the SMILES notation for 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate?
The canonical SMILES for 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate is Cc1ccc(OCC(=O)NCC(=O)[O-])c(C)c1.
What is the InChIKey of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate?
The InChIKey is SQYHWBMFHVCEMS-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H15NO4/c1-8-3-4-10(9(2)5-8)17-7-11(14)13-6-12(15)16/h3-5H,6-7H2,1-2H3,(H,13,14)(H,15,16)/p-1.
What are the key properties of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate?
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate has a molecular weight of 236.25 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate is sourced from PubChem (CID 7275245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).