3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid

C15H21NO4 — CID 115427019

IUPAC3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
SMILESCCc1cccc(OCC(=O)NCC(C)(C)C(=O)O)c1
InChIInChI=1S/C15H21NO4/c1-4-11-6-5-7-12(8-11)20-9-13(17)16-10-15(2,3)14(18)19/h5-8H,4,9-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyIXXDISAZGPTBNG-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.85
Rot. Bonds7

About 3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid

3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 115427019) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
PubChem CID115427019
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
SMILESCCc1cccc(OCC(=O)NCC(C)(C)C(=O)O)c1
InChIInChI=1S/C15H21NO4/c1-4-11-6-5-7-12(8-11)20-9-13(17)16-10-15(2,3)14(18)19/h5-8H,4,9-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyIXXDISAZGPTBNG-UHFFFAOYSA-N
XLogP1.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 55303914
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249671
methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate
CID 60637022
N'-acetyl-2-(3-ethylphenoxy)acetohydrazide
CID 43011736
N-(2-tert-butylphenyl)-2-(3-ethylphenoxy)acetamide
CID 7920123
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442
2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide
CID 63057746
4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid
CID 103152454
2-(3-ethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 115643579
2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385571

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid (CID 115427019) is 3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid is CCc1cccc(OCC(=O)NCC(C)(C)C(=O)O)c1.
What is the InChIKey of 3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is IXXDISAZGPTBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-11-6-5-7-12(8-11)20-9-13(17)16-10-15(2,3)14(18)19/h5-8H,4,9-10H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid?
3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115427019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).