(2R)-2-amino-2-[(4-fluoro-2,3-dihydroxyphenyl)methyl]butanoic acid

C11H14FNO4 — CID 10354414

IUPAC(2R)-2-amino-2-[(4-fluoro-2,3-dihydroxyphenyl)methyl]butanoic acid
SMILESCC[C@@](N)(Cc1ccc(F)c(O)c1O)C(=O)O
InChIInChI=1S/C11H14FNO4/c1-2-11(13,10(16)17)5-6-3-4-7(12)9(15)8(6)14/h3-4,14-15H,2,5,13H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyHAZIHSACKNFFOM-LLVKDONJSA-N
MW243.23 g/mol
LogP0.97
Rot. Bonds4

About (2R)-2-amino-2-[(4-fluoro-2,3-dihydroxyphenyl)methyl]butanoic acid

(2R)-2-amino-2-[(4-fluoro-2,3-dihydroxyphenyl)methyl]butanoic acid (PubChem CID 10354414) has the molecular formula C11H14FNO4 and a molecular weight of 243.23 g/mol. Its IUPAC name is (2R)-2-amino-2-[(4-fluoro-2,3-dihydroxyphenyl)methyl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-[(4-fluoro-2,3-dihydroxyphenyl)methyl]butanoic acid
PubChem CID10354414
Molecular FormulaC11H14FNO4
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name(2R)-2-amino-2-[(4-fluoro-2,3-dihydroxyphenyl)methyl]butanoic acid
SMILESCC[C@@](N)(Cc1ccc(F)c(O)c1O)C(=O)O
InChIInChI=1S/C11H14FNO4/c1-2-11(13,10(16)17)5-6-3-4-7(12)9(15)8(6)14/h3-4,14-15H,2,5,13H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyHAZIHSACKNFFOM-LLVKDONJSA-N
XLogP0.97
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-[(4-chlorophenyl)methyl]butanoic acid
CID 70178443
2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 69408244
6-(2,2-dimethylpropyl)-2,3-difluorophenol
CID 58149383
2-amino-2-[[4-(methoxymethoxy)phenyl]methyl]butanoic acid
CID 146628259
3-(3-aminopropyl)-6-fluorobenzene-1,2-diol
CID 117280042
3-ethyl-6-(2-methylbutan-2-yl)benzene-1,2-diol
CID 88982298
3-[(2-amino-2-ethylbutanoyl)amino]-4-fluorobenzoic acid
CID 79810234
(2S)-2-amino-3-[3-fluoro-2-(fluoromethyl)-4-hydroxyphenyl]-2-methylpropanoic acid
CID 67941698
6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol
CID 117304251
3-(3-ethyl-2,6-difluorophenyl)-2,2-dimethylpropanoic acid
CID 117357574
2-amino-2-benzylpentanoic acid
CID 24974249
2-[(3,4-difluorophenyl)methyl]-2-ethylbutanoic acid
CID 82919875

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[(4-fluoro-2,3-dihydroxyphenyl)methyl]butanoic acid?
The IUPAC name of (2R)-2-amino-2-[(4-fluoro-2,3-dihydroxyphenyl)methyl]butanoic acid (CID 10354414) is (2R)-2-amino-2-[(4-fluoro-2,3-dihydroxyphenyl)methyl]butanoic acid.
What is the SMILES notation for (2R)-2-amino-2-[(4-fluoro-2,3-dihydroxyphenyl)methyl]butanoic acid?
The canonical SMILES for (2R)-2-amino-2-[(4-fluoro-2,3-dihydroxyphenyl)methyl]butanoic acid is CC[C@@](N)(Cc1ccc(F)c(O)c1O)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-[(4-fluoro-2,3-dihydroxyphenyl)methyl]butanoic acid?
The InChIKey is HAZIHSACKNFFOM-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14FNO4/c1-2-11(13,10(16)17)5-6-3-4-7(12)9(15)8(6)14/h3-4,14-15H,2,5,13H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-2-[(4-fluoro-2,3-dihydroxyphenyl)methyl]butanoic acid?
(2R)-2-amino-2-[(4-fluoro-2,3-dihydroxyphenyl)methyl]butanoic acid has a molecular weight of 243.23 g/mol, XLogP of 0.97, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[(4-fluoro-2,3-dihydroxyphenyl)methyl]butanoic acid is sourced from PubChem (CID 10354414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).