ethyl 3-(2-amino-6-fluorophenyl)propanoate

C11H14FNO2 — CID 174546302

IUPACethyl 3-(2-amino-6-fluorophenyl)propanoate
SMILESCCOC(=O)CCc1c(N)cccc1F
InChIInChI=1S/C11H14FNO2/c1-2-15-11(14)7-6-8-9(12)4-3-5-10(8)13/h3-5H,2,6-7,13H2,1H3
InChIKeyPYPACIZUSYFFKM-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.90
Rot. Bonds4

About ethyl 3-(2-amino-6-fluorophenyl)propanoate

ethyl 3-(2-amino-6-fluorophenyl)propanoate (PubChem CID 174546302) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is ethyl 3-(2-amino-6-fluorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-amino-6-fluorophenyl)propanoate
PubChem CID174546302
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Nameethyl 3-(2-amino-6-fluorophenyl)propanoate
SMILESCCOC(=O)CCc1c(N)cccc1F
InChIInChI=1S/C11H14FNO2/c1-2-15-11(14)7-6-8-9(12)4-3-5-10(8)13/h3-5H,2,6-7,13H2,1H3
InChIKeyPYPACIZUSYFFKM-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate
CID 134640472
ethyl 3-(2-amino-6-cyanophenyl)propanoate
CID 174437969
ethyl 3-(2-amino-6-propan-2-yloxyphenyl)propanoate
CID 174461340
ethyl 3-(2-amino-6-nitrophenyl)propanoate;hydrochloride
CID 174372972
ethyl 3-(2-bromo-3-fluoro-6-hydroxyphenyl)propanoate
CID 155580080
ethyl 4-[(2,6-difluorophenyl)methylamino]butanoate
CID 64579101
ethyl 3-[2-amino-6-[3-[di(propan-2-yl)amino]propyl]phenyl]propanoate
CID 174438100
ethyl 3-[3-(2,6-dimethylphenyl)-2,6-difluoro-5-methylphenyl]propanoate
CID 156728230
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
2-[2-(3-ethoxy-3-oxopropyl)-6-fluorophenyl]-2-hydroxyacetic acid
CID 118847911
azane;2-ethyl-3-fluoroaniline
CID 68647628
ethyl 3-[2-[[(2S)-3-(4-aminophenyl)-2-(ethoxycarbonylamino)propanoyl]amino]-6-fluorophenyl]propanoate
CID 175200420

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-amino-6-fluorophenyl)propanoate?
The IUPAC name of ethyl 3-(2-amino-6-fluorophenyl)propanoate (CID 174546302) is ethyl 3-(2-amino-6-fluorophenyl)propanoate.
What is the SMILES notation for ethyl 3-(2-amino-6-fluorophenyl)propanoate?
The canonical SMILES for ethyl 3-(2-amino-6-fluorophenyl)propanoate is CCOC(=O)CCc1c(N)cccc1F.
What is the InChIKey of ethyl 3-(2-amino-6-fluorophenyl)propanoate?
The InChIKey is PYPACIZUSYFFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-2-15-11(14)7-6-8-9(12)4-3-5-10(8)13/h3-5H,2,6-7,13H2,1H3.
What are the key properties of ethyl 3-(2-amino-6-fluorophenyl)propanoate?
ethyl 3-(2-amino-6-fluorophenyl)propanoate has a molecular weight of 211.24 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-amino-6-fluorophenyl)propanoate is sourced from PubChem (CID 174546302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).