ethyl 2-[3-(4-fluorophenyl)propanoylamino]propanoate

C14H18FNO3 — CID 47069931

IUPACethyl 2-[3-(4-fluorophenyl)propanoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-3-19-14(18)10(2)16-13(17)9-6-11-4-7-12(15)8-5-11/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,16,17)
InChIKeyGGJLFFMRWNKNAZ-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.83
Rot. Bonds6

About ethyl 2-[3-(4-fluorophenyl)propanoylamino]propanoate

ethyl 2-[3-(4-fluorophenyl)propanoylamino]propanoate (PubChem CID 47069931) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is ethyl 2-[3-(4-fluorophenyl)propanoylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[3-(4-fluorophenyl)propanoylamino]propanoate
PubChem CID47069931
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nameethyl 2-[3-(4-fluorophenyl)propanoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-3-19-14(18)10(2)16-13(17)9-6-11-4-7-12(15)8-5-11/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,16,17)
InChIKeyGGJLFFMRWNKNAZ-UHFFFAOYSA-N
XLogP1.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-fluorophenyl)propanoylamino]propanoate?
The IUPAC name of ethyl 2-[3-(4-fluorophenyl)propanoylamino]propanoate (CID 47069931) is ethyl 2-[3-(4-fluorophenyl)propanoylamino]propanoate.
What is the SMILES notation for ethyl 2-[3-(4-fluorophenyl)propanoylamino]propanoate?
The canonical SMILES for ethyl 2-[3-(4-fluorophenyl)propanoylamino]propanoate is CCOC(=O)C(C)NC(=O)CCc1ccc(F)cc1.
What is the InChIKey of ethyl 2-[3-(4-fluorophenyl)propanoylamino]propanoate?
The InChIKey is GGJLFFMRWNKNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-3-19-14(18)10(2)16-13(17)9-6-11-4-7-12(15)8-5-11/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-[3-(4-fluorophenyl)propanoylamino]propanoate?
ethyl 2-[3-(4-fluorophenyl)propanoylamino]propanoate has a molecular weight of 267.30 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-fluorophenyl)propanoylamino]propanoate is sourced from PubChem (CID 47069931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).