2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid

C10H12FNO3 — CID 11042087

IUPAC2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid
SMILESNC(CF)(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H12FNO3/c11-6-10(12,9(14)15)5-7-1-3-8(13)4-2-7/h1-4,13H,5-6,12H2,(H,14,15)
InChIKeyACIQAJKTARSFHQ-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.69
Rot. Bonds4

About 2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid

2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 11042087) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid
PubChem CID11042087
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid
SMILESNC(CF)(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H12FNO3/c11-6-10(12,9(14)15)5-7-1-3-8(13)4-2-7/h1-4,13H,5-6,12H2,(H,14,15)
InChIKeyACIQAJKTARSFHQ-UHFFFAOYSA-N
XLogP0.69
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 69408244
2-amino-2-(fluoromethyl)-3-[4-(methoxymethoxy)phenyl]propanoic acid
CID 175606160
(2R)-2-amino-3-(4-hydroxyphenyl)-2-phosphonopropanoic acid
CID 66892564
(2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid
CID 90178447
(2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid
CID 91046027
(2R)-2-amino-2-benzyl-4-oxo-4-phenylmethoxybutanoic acid
CID 91872641
(2S)-2-amino-2-[(4-chlorophenyl)methyl]butanoic acid
CID 70178443
4-[(2R)-2-amino-2-(fluoromethyl)-3-hydroperoxypropyl]phenol
CID 162775566
dimethyl (2S)-2-amino-2-[(4-hydroxyphenyl)methyl]butanedioate
CID 102312983
(2S)-2-amino-2-[(3,4-dihydroxyphenyl)methyl]-3-hydroxypropanoic acid
CID 70547377
(2S)-2,4-diamino-2-benzylbutanoic acid
CID 70154199
2-amino-2-benzylpentanoic acid
CID 24974249

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid (CID 11042087) is 2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid is NC(CF)(Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is ACIQAJKTARSFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c11-6-10(12,9(14)15)5-7-1-3-8(13)4-2-7/h1-4,13H,5-6,12H2,(H,14,15).
What are the key properties of 2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid?
2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 213.21 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 11042087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).