methyl 2-[ethyl-[2-(3-fluorophenoxy)acetyl]amino]acetate

C13H16FNO4 — CID 54979676

IUPACmethyl 2-[ethyl-[2-(3-fluorophenoxy)acetyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)COc1cccc(F)c1
InChIInChI=1S/C13H16FNO4/c1-3-15(8-13(17)18-2)12(16)9-19-11-6-4-5-10(14)7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyQZJJTTVZBUFQGI-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.23
Rot. Bonds6

About methyl 2-[ethyl-[2-(3-fluorophenoxy)acetyl]amino]acetate

methyl 2-[ethyl-[2-(3-fluorophenoxy)acetyl]amino]acetate (PubChem CID 54979676) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is methyl 2-[ethyl-[2-(3-fluorophenoxy)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[2-(3-fluorophenoxy)acetyl]amino]acetate
PubChem CID54979676
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Namemethyl 2-[ethyl-[2-(3-fluorophenoxy)acetyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)COc1cccc(F)c1
InChIInChI=1S/C13H16FNO4/c1-3-15(8-13(17)18-2)12(16)9-19-11-6-4-5-10(14)7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyQZJJTTVZBUFQGI-UHFFFAOYSA-N
XLogP1.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[ethyl-[2-(2-fluorophenoxy)acetyl]amino]acetate
CID 54979366
methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate
CID 54998119
2-[ethyl-[2-(3-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 78767293
N-cyclopropyl-N-ethyl-2-(3-fluorophenoxy)acetamide
CID 60729344
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate
CID 61011300
2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid
CID 54900937
2-[[2-(3-fluorophenoxy)acetyl]-prop-2-enylamino]acetic acid
CID 79256898
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
2-(3-fluorophenoxy)-N-methyl-N-phenylacetamide
CID 78762284
2-(3-acetamidophenoxy)-N,N-diethylacetamide
CID 7698145
methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate
CID 61383302

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[2-(3-fluorophenoxy)acetyl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[2-(3-fluorophenoxy)acetyl]amino]acetate (CID 54979676) is methyl 2-[ethyl-[2-(3-fluorophenoxy)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[2-(3-fluorophenoxy)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[2-(3-fluorophenoxy)acetyl]amino]acetate is CCN(CC(=O)OC)C(=O)COc1cccc(F)c1.
What is the InChIKey of methyl 2-[ethyl-[2-(3-fluorophenoxy)acetyl]amino]acetate?
The InChIKey is QZJJTTVZBUFQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c1-3-15(8-13(17)18-2)12(16)9-19-11-6-4-5-10(14)7-11/h4-7H,3,8-9H2,1-2H3.
What are the key properties of methyl 2-[ethyl-[2-(3-fluorophenoxy)acetyl]amino]acetate?
methyl 2-[ethyl-[2-(3-fluorophenoxy)acetyl]amino]acetate has a molecular weight of 269.27 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[2-(3-fluorophenoxy)acetyl]amino]acetate is sourced from PubChem (CID 54979676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).