2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-ethylamino]acetic acid

C14H17F2NO4 — CID 120519752

IUPAC2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-ethylamino]acetic acid
SMILESCCOc1ccccc1C(F)(F)C(=O)N(CC)CC(=O)O
InChIInChI=1S/C14H17F2NO4/c1-3-17(9-12(18)19)13(20)14(15,16)10-7-5-6-8-11(10)21-4-2/h5-8H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyZMMBMWOYCPRYAJ-UHFFFAOYSA-N
MW301.29 g/mol
LogP2.11
Rot. Bonds7

About 2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-ethylamino]acetic acid

2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-ethylamino]acetic acid (PubChem CID 120519752) has the molecular formula C14H17F2NO4 and a molecular weight of 301.29 g/mol. Its IUPAC name is 2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-ethylamino]acetic acid
PubChem CID120519752
Molecular FormulaC14H17F2NO4
Molecular Weight301.29 g/mol
Exact Mass301.11
IUPAC Name2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-ethylamino]acetic acid
SMILESCCOc1ccccc1C(F)(F)C(=O)N(CC)CC(=O)O
InChIInChI=1S/C14H17F2NO4/c1-3-17(9-12(18)19)13(20)14(15,16)10-7-5-6-8-11(10)21-4-2/h5-8H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyZMMBMWOYCPRYAJ-UHFFFAOYSA-N
XLogP2.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxyphenyl)-3-methylbutanoic acid
CID 81003890
2-[3-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]pyrazol-1-yl]acetic acid
CID 120524685
2-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethylsulfanyl]acetic acid
CID 120526528
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
2-[[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]methyl]-2-ethylbutanoic acid
CID 120533300
3-[[2-(2-tert-butylphenoxy)acetyl]-ethylamino]propanoic acid
CID 119191723
2-[1-[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]piperidin-4-yl]acetic acid
CID 120515457
3-(2-ethoxyphenoxy)-4,4,4-trifluorobutanoic acid
CID 55182429
2-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]acetic acid
CID 61022363
1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 139967229
3-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]benzoic acid
CID 120535496
2-(3-ethoxy-N-ethyl-2-nitroanilino)acetic acid
CID 113392862

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-ethylamino]acetic acid (CID 120519752) is 2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-ethylamino]acetic acid is CCOc1ccccc1C(F)(F)C(=O)N(CC)CC(=O)O.
What is the InChIKey of 2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-ethylamino]acetic acid?
The InChIKey is ZMMBMWOYCPRYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO4/c1-3-17(9-12(18)19)13(20)14(15,16)10-7-5-6-8-11(10)21-4-2/h5-8H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-ethylamino]acetic acid?
2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-ethylamino]acetic acid has a molecular weight of 301.29 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-ethylamino]acetic acid is sourced from PubChem (CID 120519752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).