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

C9H10FNO3 — CID 82607416

IUPAC3-amino-2-(5-fluoro-2-hydroxyphenyl)propanoic acid
SMILESNCC(C(=O)O)c1cc(F)ccc1O
InChIInChI=1S/C9H10FNO3/c10-5-1-2-8(12)6(3-5)7(4-11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)
InChIKeyZKYPCZQNSKSODU-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.66
Rot. Bonds3

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

3-amino-2-(5-fluoro-2-hydroxyphenyl)propanoic acid (PubChem CID 82607416) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is 3-amino-2-(5-fluoro-2-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(5-fluoro-2-hydroxyphenyl)propanoic acid
PubChem CID82607416
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name3-amino-2-(5-fluoro-2-hydroxyphenyl)propanoic acid
SMILESNCC(C(=O)O)c1cc(F)ccc1O
InChIInChI=1S/C9H10FNO3/c10-5-1-2-8(12)6(3-5)7(4-11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)
InChIKeyZKYPCZQNSKSODU-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[2-(dimethylamino)-5-fluorophenyl]propanoic acid
CID 117325479
3-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]propanoic acid
CID 117116266
3-amino-2-(2-hydroxy-5-nitrophenyl)propanoic acid
CID 117324797
3-amino-2-(2-cyclobutyloxy-5-fluorophenyl)propanoic acid
CID 117385574
3-amino-2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid
CID 117381731
(3S)-3-amino-3-(5-fluoro-2-hydroxyphenyl)propanoic acid;hydrochloride
CID 162344213
3-amino-2-[5-[2-(dimethylamino)ethyl]-2-hydroxyphenyl]propanoic acid
CID 117384165
3-amino-2-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 84691069
3-amino-2-(2,4,5-trifluorophenyl)propanoic acid
CID 84684316
3-amino-2-(2,6-difluoro-3-hydroxyphenyl)propanoic acid
CID 84785065
3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
CID 84694286
2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid
CID 107698104

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-fluoro-2-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-amino-2-(5-fluoro-2-hydroxyphenyl)propanoic acid (CID 82607416) is 3-amino-2-(5-fluoro-2-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-amino-2-(5-fluoro-2-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-amino-2-(5-fluoro-2-hydroxyphenyl)propanoic acid is NCC(C(=O)O)c1cc(F)ccc1O.
What is the InChIKey of 3-amino-2-(5-fluoro-2-hydroxyphenyl)propanoic acid?
The InChIKey is ZKYPCZQNSKSODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c10-5-1-2-8(12)6(3-5)7(4-11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14).
What are the key properties of 3-amino-2-(5-fluoro-2-hydroxyphenyl)propanoic acid?
3-amino-2-(5-fluoro-2-hydroxyphenyl)propanoic acid has a molecular weight of 199.18 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-fluoro-2-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 82607416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).