2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

C11H14FNO3 — CID 87854570

IUPAC2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)OCCF
InChIInChI=1S/C11H14FNO3/c12-5-6-16-11(15)10(13)7-8-1-3-9(14)4-2-8/h1-4,10,14H,5-7,13H2/t10-/m0/s1
InChIKeyIIMNVGVBBANBLS-JTQLQIEISA-N
MW227.23 g/mol
LogP0.77
Rot. Bonds5

About 2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate (PubChem CID 87854570) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
PubChem CID87854570
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)OCCF
InChIInChI=1S/C11H14FNO3/c12-5-6-16-11(15)10(13)7-8-1-3-9(14)4-2-8/h1-4,10,14H,5-7,13H2/t10-/m0/s1
InChIKeyIIMNVGVBBANBLS-JTQLQIEISA-N
XLogP0.77
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[deuterio(fluoro)methyl] (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 87058877
2-cyclopropylethyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 106202712
ethane;3-methylbutyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 142497424
2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 115942247
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 56980612
2-(2-methylpropoxy)ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 106448218
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401
3-(2-methoxyethoxy)propyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 103403094
carbamoyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 54129194
acetyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 22287971
prop-2-enyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride
CID 138991803

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of 2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate (CID 87854570) is 2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for 2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for 2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate is N[C@@H](Cc1ccc(O)cc1)C(=O)OCCF.
What is the InChIKey of 2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate?
The InChIKey is IIMNVGVBBANBLS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14FNO3/c12-5-6-16-11(15)10(13)7-8-1-3-9(14)4-2-8/h1-4,10,14H,5-7,13H2/t10-/m0/s1.
What are the key properties of 2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate?
2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate has a molecular weight of 227.23 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 87854570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).