2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid

C9H10FNO3 — CID 14211589

IUPAC2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
SMILESNC(Cc1cc(O)ccc1F)C(=O)O
InChIInChI=1S/C9H10FNO3/c10-7-2-1-6(12)3-5(7)4-8(11)9(13)14/h1-3,8,12H,4,11H2,(H,13,14)
InChIKeyYTYMWTLCTJSNDC-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.49
Rot. Bonds3

About 2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid

2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid (PubChem CID 14211589) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is 2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
PubChem CID14211589
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
SMILESNC(Cc1cc(O)ccc1F)C(=O)O
InChIInChI=1S/C9H10FNO3/c10-7-2-1-6(12)3-5(7)4-8(11)9(13)14/h1-3,8,12H,4,11H2,(H,13,14)
InChIKeyYTYMWTLCTJSNDC-UHFFFAOYSA-N
XLogP0.49
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid
CID 130612428
(2S)-2-amino-3-(2-fluoro-4,5-dihydroxyphenyl)propanoic acid;hydrate
CID 66764594
2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid
CID 5134354
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
(2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid
CID 152754952
(2S)-2-amino-3-(2,4-difluoro-3-iodophenyl)propanoic acid
CID 90411427
2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid
CID 10535946
(2S)-2-amino-3-(4-hydroxy-2-phosphonophenyl)propanoic acid
CID 57008274
2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid
CID 84670465
2-amino-3-(2,5-difluoro-4-methylsulfanylphenyl)propanoic acid
CID 117370022

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid (CID 14211589) is 2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid is NC(Cc1cc(O)ccc1F)C(=O)O.
What is the InChIKey of 2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid?
The InChIKey is YTYMWTLCTJSNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c10-7-2-1-6(12)3-5(7)4-8(11)9(13)14/h1-3,8,12H,4,11H2,(H,13,14).
What are the key properties of 2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid?
2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid has a molecular weight of 199.18 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 14211589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).