3-amino-2-(2-chloro-6-fluoro-4-hydroxyphenyl)propanoic acid

C9H9ClFNO3 — CID 84796511

IUPAC3-amino-2-(2-chloro-6-fluoro-4-hydroxyphenyl)propanoic acid
SMILESNCC(C(=O)O)c1c(F)cc(O)cc1Cl
InChIInChI=1S/C9H9ClFNO3/c10-6-1-4(13)2-7(11)8(6)5(3-12)9(14)15/h1-2,5,13H,3,12H2,(H,14,15)
InChIKeyHGMMQFZKEKPQJB-UHFFFAOYSA-N
MW233.63 g/mol
LogP1.31
Rot. Bonds3

About 3-amino-2-(2-chloro-6-fluoro-4-hydroxyphenyl)propanoic acid

3-amino-2-(2-chloro-6-fluoro-4-hydroxyphenyl)propanoic acid (PubChem CID 84796511) has the molecular formula C9H9ClFNO3 and a molecular weight of 233.63 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-6-fluoro-4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(2-chloro-6-fluoro-4-hydroxyphenyl)propanoic acid
PubChem CID84796511
Molecular FormulaC9H9ClFNO3
Molecular Weight233.63 g/mol
Exact Mass233.03
IUPAC Name3-amino-2-(2-chloro-6-fluoro-4-hydroxyphenyl)propanoic acid
SMILESNCC(C(=O)O)c1c(F)cc(O)cc1Cl
InChIInChI=1S/C9H9ClFNO3/c10-6-1-4(13)2-7(11)8(6)5(3-12)9(14)15/h1-2,5,13H,3,12H2,(H,14,15)
InChIKeyHGMMQFZKEKPQJB-UHFFFAOYSA-N
XLogP1.31
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.63
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(2-bromo-3-chloro-6-fluorophenyl)propanoic acid
CID 117477821
3-amino-2-(2,6-difluoro-3-hydroxyphenyl)propanoic acid
CID 84785065
3-amino-2-(3-chloro-2-fluoro-6-hydroxy-5-methoxyphenyl)propanoic acid
CID 117413939
3-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid
CID 84679521
3-amino-2-(2,6-difluoro-3,5-dimethylphenyl)propanoic acid
CID 84792620
3-amino-2-(2,4,5-trifluorophenyl)propanoic acid
CID 84684316
3-amino-2-(4,6-difluoro-1-benzofuran-7-yl)propanoic acid
CID 117354378
3-amino-2-(3-chloro-4-fluoro-5-methylphenyl)propanoic acid
CID 84695104
3,5-dichloro-4-(1,2-diaminoethyl)phenol
CID 10100975
3-amino-2-(5,7-difluoro-1H-indol-6-yl)propanoic acid
CID 117352563
3-amino-2-[2,6-difluoro-3-(methoxymethyl)phenyl]propanoic acid
CID 117364248
3-amino-2-(2,6-difluoro-3-propan-2-ylphenyl)propanoic acid
CID 117359416

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-6-fluoro-4-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-amino-2-(2-chloro-6-fluoro-4-hydroxyphenyl)propanoic acid (CID 84796511) is 3-amino-2-(2-chloro-6-fluoro-4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-amino-2-(2-chloro-6-fluoro-4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-amino-2-(2-chloro-6-fluoro-4-hydroxyphenyl)propanoic acid is NCC(C(=O)O)c1c(F)cc(O)cc1Cl.
What is the InChIKey of 3-amino-2-(2-chloro-6-fluoro-4-hydroxyphenyl)propanoic acid?
The InChIKey is HGMMQFZKEKPQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO3/c10-6-1-4(13)2-7(11)8(6)5(3-12)9(14)15/h1-2,5,13H,3,12H2,(H,14,15).
What are the key properties of 3-amino-2-(2-chloro-6-fluoro-4-hydroxyphenyl)propanoic acid?
3-amino-2-(2-chloro-6-fluoro-4-hydroxyphenyl)propanoic acid has a molecular weight of 233.63 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chloro-6-fluoro-4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 84796511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).