2-amino-3-(2-ethyl-3-fluoro-4-hydroxyphenyl)propanoic acid

C11H14FNO3 — CID 155926335

IUPAC2-amino-3-(2-ethyl-3-fluoro-4-hydroxyphenyl)propanoic acid
SMILESCCc1c(CC(N)C(=O)O)ccc(O)c1F
InChIInChI=1S/C11H14FNO3/c1-2-7-6(5-8(13)11(15)16)3-4-9(14)10(7)12/h3-4,8,14H,2,5,13H2,1H3,(H,15,16)
InChIKeyMBMOCJZBASQGHZ-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.05
Rot. Bonds4

About 2-amino-3-(2-ethyl-3-fluoro-4-hydroxyphenyl)propanoic acid

2-amino-3-(2-ethyl-3-fluoro-4-hydroxyphenyl)propanoic acid (PubChem CID 155926335) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-amino-3-(2-ethyl-3-fluoro-4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-ethyl-3-fluoro-4-hydroxyphenyl)propanoic acid
PubChem CID155926335
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Name2-amino-3-(2-ethyl-3-fluoro-4-hydroxyphenyl)propanoic acid
SMILESCCc1c(CC(N)C(=O)O)ccc(O)c1F
InChIInChI=1S/C11H14FNO3/c1-2-7-6(5-8(13)11(15)16)3-4-9(14)10(7)12/h3-4,8,14H,2,5,13H2,1H3,(H,15,16)
InChIKeyMBMOCJZBASQGHZ-UHFFFAOYSA-N
XLogP1.05
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(2,6-difluoro-3-hydroxyphenyl)propanoic acid
CID 131883206
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CID 117364576
2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid
CID 10535946
2-amino-3-(3,4-dihydroxy-2-propan-2-ylphenyl)propanoic acid
CID 22326284
2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid
CID 84792577
(2S)-2-amino-3-(2,4-difluoro-3-iodophenyl)propanoic acid
CID 90411427
CID 163635916
CID 163635916
2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
2-amino-3-(3-ethyl-2,4-dimethoxyphenyl)propanoic acid
CID 117385932
ethyl 2-deuterio-3-(2-ethyl-3-fluoro-4-hydroxyphenyl)propanoate
CID 141271178
3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid
CID 52933836
2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid
CID 55269104

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-ethyl-3-fluoro-4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(2-ethyl-3-fluoro-4-hydroxyphenyl)propanoic acid (CID 155926335) is 2-amino-3-(2-ethyl-3-fluoro-4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-ethyl-3-fluoro-4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-ethyl-3-fluoro-4-hydroxyphenyl)propanoic acid is CCc1c(CC(N)C(=O)O)ccc(O)c1F.
What is the InChIKey of 2-amino-3-(2-ethyl-3-fluoro-4-hydroxyphenyl)propanoic acid?
The InChIKey is MBMOCJZBASQGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-2-7-6(5-8(13)11(15)16)3-4-9(14)10(7)12/h3-4,8,14H,2,5,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-(2-ethyl-3-fluoro-4-hydroxyphenyl)propanoic acid?
2-amino-3-(2-ethyl-3-fluoro-4-hydroxyphenyl)propanoic acid has a molecular weight of 227.24 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-ethyl-3-fluoro-4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 155926335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).