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

C9H9F2NO3 — CID 64695247

IUPAC3-amino-2-(2,5-difluorophenoxy)propanoic acid
SMILESNCC(Oc1cc(F)ccc1F)C(=O)O
InChIInChI=1S/C9H9F2NO3/c10-5-1-2-6(11)7(3-5)15-8(4-12)9(13)14/h1-3,8H,4,12H2,(H,13,14)
InChIKeyHSPJMBWHOUVDDM-UHFFFAOYSA-N
MW217.17 g/mol
LogP0.76
Rot. Bonds4

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

3-amino-2-(2,5-difluorophenoxy)propanoic acid (PubChem CID 64695247) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is 3-amino-2-(2,5-difluorophenoxy)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(2,5-difluorophenoxy)propanoic acid
PubChem CID64695247
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Name3-amino-2-(2,5-difluorophenoxy)propanoic acid
SMILESNCC(Oc1cc(F)ccc1F)C(=O)O
InChIInChI=1S/C9H9F2NO3/c10-5-1-2-6(11)7(3-5)15-8(4-12)9(13)14/h1-3,8H,4,12H2,(H,13,14)
InChIKeyHSPJMBWHOUVDDM-UHFFFAOYSA-N
XLogP0.76
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid
CID 102988005
(2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride
CID 68946272
2-(2-amino-5-fluorophenoxy)butanoic acid
CID 64669488
3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid
CID 63272996
2-(2,5-difluorophenoxy)-3-methoxypropanehydrazide
CID 103229333
2-(2,5-difluorophenoxy)propanamide
CID 63269491
1-amino-3-(2,5-difluorophenoxy)propan-2-ol
CID 63269333
2-(2-bromo-4-fluorophenoxy)-3-methoxypropanoic acid
CID 103223956
3-amino-2-(2,5-difluorophenyl)sulfonylpropanoic acid
CID 64695884
2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine
CID 63269156
3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid
CID 64694661
(2S)-2-amino-2-[4-[(2,5-difluorophenoxy)methyl]phenyl]acetic acid
CID 66513242

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,5-difluorophenoxy)propanoic acid?
The IUPAC name of 3-amino-2-(2,5-difluorophenoxy)propanoic acid (CID 64695247) is 3-amino-2-(2,5-difluorophenoxy)propanoic acid.
What is the SMILES notation for 3-amino-2-(2,5-difluorophenoxy)propanoic acid?
The canonical SMILES for 3-amino-2-(2,5-difluorophenoxy)propanoic acid is NCC(Oc1cc(F)ccc1F)C(=O)O.
What is the InChIKey of 3-amino-2-(2,5-difluorophenoxy)propanoic acid?
The InChIKey is HSPJMBWHOUVDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c10-5-1-2-6(11)7(3-5)15-8(4-12)9(13)14/h1-3,8H,4,12H2,(H,13,14).
What are the key properties of 3-amino-2-(2,5-difluorophenoxy)propanoic acid?
3-amino-2-(2,5-difluorophenoxy)propanoic acid has a molecular weight of 217.17 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,5-difluorophenoxy)propanoic acid is sourced from PubChem (CID 64695247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).