(2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid

C8H7F2NO3 — CID 130647675

IUPAC(2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid
SMILESN[C@@H](C(=O)O)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C8H7F2NO3/c9-4-1-3(6(11)8(13)14)2-5(10)7(4)12/h1-2,6,12H,11H2,(H,13,14)/t6-/m1/s1
InChIKeyTZCCGJOUQHZRMS-ZCFIWIBFSA-N
MW203.14 g/mol
LogP0.75
Rot. Bonds2

About (2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid

(2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid (PubChem CID 130647675) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is (2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid
PubChem CID130647675
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name(2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid
SMILESN[C@@H](C(=O)O)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C8H7F2NO3/c9-4-1-3(6(11)8(13)14)2-5(10)7(4)12/h1-2,6,12H,11H2,(H,13,14)/t6-/m1/s1
InChIKeyTZCCGJOUQHZRMS-ZCFIWIBFSA-N
XLogP0.75
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3-amino-4,5-difluorophenyl)acetic acid
CID 117115072
2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride
CID 24730258
2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid
CID 77129596
(2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid
CID 130691393
5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid
CID 131871682
(2S)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 66513064
(2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 124634776
(2S)-2-amino-2-(3-fluoro-4-phenylphenyl)acetic acid
CID 135292614
2-amino-2-(4-cyano-3-fluorophenyl)acetic acid
CID 55297389
5-[(R)-amino(carboxy)methyl]benzene-1,3-dicarboxylic acid
CID 100919095
2-amino-2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid
CID 84710017
(2S)-2-amino-2-(5-bromo-2,3-difluoro-6-hydroxyphenyl)acetic acid
CID 66513152

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid (CID 130647675) is (2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid is N[C@@H](C(=O)O)c1cc(F)c(O)c(F)c1.
What is the InChIKey of (2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid?
The InChIKey is TZCCGJOUQHZRMS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H7F2NO3/c9-4-1-3(6(11)8(13)14)2-5(10)7(4)12/h1-2,6,12H,11H2,(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid?
(2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid has a molecular weight of 203.14 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 130647675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).