2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid

C10H10F3NO4 — CID 107104802

IUPAC2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid
SMILESNC(C(=O)O)C(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H10F3NO4/c11-10(12,13)18-6-3-1-2-5(4-6)8(15)7(14)9(16)17/h1-4,7-8,15H,14H2,(H,16,17)
InChIKeyBVYHGLQNQMVABT-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.03
Rot. Bonds4

About 2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid

2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid (PubChem CID 107104802) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid
PubChem CID107104802
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid
SMILESNC(C(=O)O)C(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H10F3NO4/c11-10(12,13)18-6-3-1-2-5(4-6)8(15)7(14)9(16)17/h1-4,7-8,15H,14H2,(H,16,17)
InChIKeyBVYHGLQNQMVABT-UHFFFAOYSA-N
XLogP1.03
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoate
CID 107104801
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
methyl 2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-3-methylbutanoate
CID 107105204
3,4-dihydroxy-4-[3-(trifluoromethoxy)phenyl]butanoic acid
CID 171878263
2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]pentanoic acid
CID 107105212
(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 175718270
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
CID 138110122
2-amino-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104709
3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 53441902
2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid
CID 66204925
2-amino-4-[3-(trifluoromethoxy)phenyl]hexanoic acid
CID 174512632
3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 103694228

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid (CID 107104802) is 2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid is NC(C(=O)O)C(O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid?
The InChIKey is BVYHGLQNQMVABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c11-10(12,13)18-6-3-1-2-5(4-6)8(15)7(14)9(16)17/h1-4,7-8,15H,14H2,(H,16,17).
What are the key properties of 2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid?
2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid has a molecular weight of 265.19 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid is sourced from PubChem (CID 107104802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).