(2R)-2-(3-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid

C10H8F3NO4 — CID 11086585

IUPAC(2R)-2-(3-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESO=C(O)[C@H](NC(=O)C(F)(F)F)c1cccc(O)c1
InChIInChI=1S/C10H8F3NO4/c11-10(12,13)9(18)14-7(8(16)17)5-2-1-3-6(15)4-5/h1-4,7,15H,(H,14,18)(H,16,17)/t7-/m1/s1
InChIKeyNDJHXZZIMOUUGA-SSDOTTSWSA-N
MW263.17 g/mol
LogP1.20
Rot. Bonds3

About (2R)-2-(3-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid

(2R)-2-(3-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid (PubChem CID 11086585) has the molecular formula C10H8F3NO4 and a molecular weight of 263.17 g/mol. Its IUPAC name is (2R)-2-(3-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(3-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
PubChem CID11086585
Molecular FormulaC10H8F3NO4
Molecular Weight263.17 g/mol
Exact Mass263.04
IUPAC Name(2R)-2-(3-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESO=C(O)[C@H](NC(=O)C(F)(F)F)c1cccc(O)c1
InChIInChI=1S/C10H8F3NO4/c11-10(12,13)9(18)14-7(8(16)17)5-2-1-3-6(15)4-5/h1-4,7,15H,(H,14,18)(H,16,17)/t7-/m1/s1
InChIKeyNDJHXZZIMOUUGA-SSDOTTSWSA-N
XLogP1.20
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-(3-hydroxyphenyl)-3-methylbutanoic acid
CID 84782271
2-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 166000301
benzene-1,3-diol;2,2,2-trifluoroacetic acid
CID 70611467
2-(2-acetamidopropylamino)-2-(3-hydroxyphenyl)acetic acid
CID 84746870
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 24903486
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 22309176
N-(3-bromo-2-oxo-1-phenylpropyl)-2,2,2-trifluoroacetamide
CID 104700780
2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid
CID 54890261
(2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid
CID 62845633
2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 84746836
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide
CID 11097278
3-fluoro-2-(3-hydroxyphenyl)butanoic acid
CID 105451302

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
The IUPAC name of (2R)-2-(3-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid (CID 11086585) is (2R)-2-(3-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-(3-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
The canonical SMILES for (2R)-2-(3-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid is O=C(O)[C@H](NC(=O)C(F)(F)F)c1cccc(O)c1.
What is the InChIKey of (2R)-2-(3-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
The InChIKey is NDJHXZZIMOUUGA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H8F3NO4/c11-10(12,13)9(18)14-7(8(16)17)5-2-1-3-6(15)4-5/h1-4,7,15H,(H,14,18)(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-2-(3-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
(2R)-2-(3-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid has a molecular weight of 263.17 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid is sourced from PubChem (CID 11086585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).