methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate

C14H18FNO4 — CID 61011300

IUPACmethyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C14H18FNO4/c1-3-16(9-8-14(18)19-2)13(17)10-20-12-6-4-11(15)5-7-12/h4-7H,3,8-10H2,1-2H3
InChIKeyKNCVQEUZIIRVCQ-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.62
Rot. Bonds7

About methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate

methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate (PubChem CID 61011300) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate
PubChem CID61011300
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Namemethyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C14H18FNO4/c1-3-16(9-8-14(18)19-2)13(17)10-20-12-6-4-11(15)5-7-12/h4-7H,3,8-10H2,1-2H3
InChIKeyKNCVQEUZIIRVCQ-UHFFFAOYSA-N
XLogP1.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 78760744
methyl 2-(4-fluorophenoxy)acetate
CID 580550
3-[ethyl-[4-(4-fluorophenoxy)butanoyl]amino]propanoic acid
CID 61006801
3-[ethyl-(2-phenoxyacetyl)amino]propanoic acid
CID 61007797
3-[[2-(4-fluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190370
methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate
CID 43406909
N-ethyl-2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512148
methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate
CID 54998119
methyl 2-[ethyl-[2-(3-fluorophenoxy)acetyl]amino]acetate
CID 54979676
3-[[2-(2,4-difluorophenoxy)acetyl]-ethylamino]propanoic acid
CID 61007298
methyl 3-[[2-(2,4-difluorophenyl)sulfanylacetyl]-ethylamino]propanoate
CID 61011021
2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
CID 61094181

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate (CID 61011300) is methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate is CCN(CCC(=O)OC)C(=O)COc1ccc(F)cc1.
What is the InChIKey of methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate?
The InChIKey is KNCVQEUZIIRVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-3-16(9-8-14(18)19-2)13(17)10-20-12-6-4-11(15)5-7-12/h4-7H,3,8-10H2,1-2H3.
What are the key properties of methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate?
methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate has a molecular weight of 283.30 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate is sourced from PubChem (CID 61011300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).