ethyl 3-amino-3-(2-fluorophenyl)propanoate

C11H14FNO2 — CID 580125

IUPACethyl 3-amino-3-(2-fluorophenyl)propanoate
SMILESCCOC(=O)CC(N)c1ccccc1F
InChIInChI=1S/C11H14FNO2/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6,10H,2,7,13H2,1H3
InChIKeyIBFWPUOXJBELLB-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.78
Rot. Bonds4

About ethyl 3-amino-3-(2-fluorophenyl)propanoate

ethyl 3-amino-3-(2-fluorophenyl)propanoate (PubChem CID 580125) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is ethyl 3-amino-3-(2-fluorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-(2-fluorophenyl)propanoate
PubChem CID580125
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Nameethyl 3-amino-3-(2-fluorophenyl)propanoate
SMILESCCOC(=O)CC(N)c1ccccc1F
InChIInChI=1S/C11H14FNO2/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6,10H,2,7,13H2,1H3
InChIKeyIBFWPUOXJBELLB-UHFFFAOYSA-N
XLogP1.78
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-(2-fluorophenyl)propanoate?
The IUPAC name of ethyl 3-amino-3-(2-fluorophenyl)propanoate (CID 580125) is ethyl 3-amino-3-(2-fluorophenyl)propanoate.
What is the SMILES notation for ethyl 3-amino-3-(2-fluorophenyl)propanoate?
The canonical SMILES for ethyl 3-amino-3-(2-fluorophenyl)propanoate is CCOC(=O)CC(N)c1ccccc1F.
What is the InChIKey of ethyl 3-amino-3-(2-fluorophenyl)propanoate?
The InChIKey is IBFWPUOXJBELLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6,10H,2,7,13H2,1H3.
What are the key properties of ethyl 3-amino-3-(2-fluorophenyl)propanoate?
ethyl 3-amino-3-(2-fluorophenyl)propanoate has a molecular weight of 211.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-(2-fluorophenyl)propanoate is sourced from PubChem (CID 580125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).