ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate

C11H14FNO2 — CID 7010712

IUPACethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
SMILESCCOC(=O)[C@@H](N)Cc1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8/h3-6,10H,2,7,13H2,1H3/t10-/m0/s1
InChIKeyRNFBCJJCMLRNIG-JTQLQIEISA-N
MW211.24 g/mol
LogP1.26
Rot. Bonds4

About ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate

ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate (PubChem CID 7010712) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
PubChem CID7010712
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Nameethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
SMILESCCOC(=O)[C@@H](N)Cc1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8/h3-6,10H,2,7,13H2,1H3/t10-/m0/s1
InChIKeyRNFBCJJCMLRNIG-JTQLQIEISA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 2-amino-3-(4-fluorophenyl)propanoate
CID 20837625
ethyl (2S)-2-[(4-fluorophenyl)methyl]butanoate
CID 155002155
ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate
CID 3372676
ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate
CID 10446326
ethyl 2-amino-3-(4-tert-butylphenyl)propanoate
CID 3527165
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401
ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate
CID 170884879
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl (2S)-3-(4-acetyloxyphenyl)-2-aminopropanoate
CID 146209579
ethyl 2-amino-3-(4-pentylphenyl)propanoate
CID 170884689
ethyl 3-amino-4-(4-fluorophenyl)butanoate
CID 82351777
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate?
The IUPAC name of ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate (CID 7010712) is ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate.
What is the SMILES notation for ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate?
The canonical SMILES for ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate is CCOC(=O)[C@@H](N)Cc1ccc(F)cc1.
What is the InChIKey of ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate?
The InChIKey is RNFBCJJCMLRNIG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14FNO2/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8/h3-6,10H,2,7,13H2,1H3/t10-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate?
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate has a molecular weight of 211.24 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate is sourced from PubChem (CID 7010712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).