2-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid

C10H11F2NO3 — CID 62785817

IUPAC2-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid
SMILESCC(N)(COc1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C10H11F2NO3/c1-10(13,9(14)15)5-16-8-3-6(11)2-7(12)4-8/h2-4H,5,13H2,1H3,(H,14,15)
InChIKeyIGIMGLGALPQQKF-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.15
Rot. Bonds4

About 2-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid

2-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid (PubChem CID 62785817) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is 2-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid
PubChem CID62785817
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name2-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid
SMILESCC(N)(COc1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C10H11F2NO3/c1-10(13,9(14)15)5-16-8-3-6(11)2-7(12)4-8/h2-4H,5,13H2,1H3,(H,14,15)
InChIKeyIGIMGLGALPQQKF-UHFFFAOYSA-N
XLogP1.15
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3,5-difluorophenoxy)-2-methylpropanamide
CID 62783596
2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid
CID 91976642
3-(3,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 62786393
5-(3,5-difluorophenoxy)-2,2-dimethylpentanoic acid
CID 65259869
3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol
CID 81217572
1-(3,5-difluorophenoxy)-3,3-dimethylbutan-2-one
CID 62784864
ethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate
CID 63921373
2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid
CID 107660407
methyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate
CID 62784881
2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylbutanoic acid
CID 62785439
(2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid
CID 91290117
2-amino-1-(3,5-difluorophenyl)-2-methylbutan-1-one
CID 116590471

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid?
The IUPAC name of 2-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid (CID 62785817) is 2-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid?
The canonical SMILES for 2-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid is CC(N)(COc1cc(F)cc(F)c1)C(=O)O.
What is the InChIKey of 2-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid?
The InChIKey is IGIMGLGALPQQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-10(13,9(14)15)5-16-8-3-6(11)2-7(12)4-8/h2-4H,5,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid?
2-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid has a molecular weight of 231.20 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid is sourced from PubChem (CID 62785817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).