4-amino-2-(3,5-difluorophenoxy)butanoic acid

C10H11F2NO3 — CID 64695243

IUPAC4-amino-2-(3,5-difluorophenoxy)butanoic acid
SMILESNCCC(Oc1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C10H11F2NO3/c11-6-3-7(12)5-8(4-6)16-9(1-2-13)10(14)15/h3-5,9H,1-2,13H2,(H,14,15)
InChIKeyZOKVQWSBLZDXAG-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.15
Rot. Bonds5

About 4-amino-2-(3,5-difluorophenoxy)butanoic acid

4-amino-2-(3,5-difluorophenoxy)butanoic acid (PubChem CID 64695243) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is 4-amino-2-(3,5-difluorophenoxy)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(3,5-difluorophenoxy)butanoic acid
PubChem CID64695243
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name4-amino-2-(3,5-difluorophenoxy)butanoic acid
SMILESNCCC(Oc1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C10H11F2NO3/c11-6-3-7(12)5-8(4-6)16-9(1-2-13)10(14)15/h3-5,9H,1-2,13H2,(H,14,15)
InChIKeyZOKVQWSBLZDXAG-UHFFFAOYSA-N
XLogP1.15
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid
CID 102988005
ethyl 2-(3,5-difluorophenoxy)hexanoate
CID 134817597
4-amino-2-(3-methyl-4-nitrophenoxy)butanoic acid
CID 64694425
2-(3-fluoro-4-methylphenoxy)pentanoic acid
CID 107168408
5-amino-2-naphthalen-2-yloxypentanoic acid
CID 112514781
5-amino-2-(3-methylphenoxy)pentanoic acid
CID 112514325
3-amino-2-(2,5-difluorophenoxy)propanoic acid
CID 64695247
2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoic acid
CID 103566156
(2R)-4-amino-2-methoxybutanoic acid
CID 124508923
2-(3-fluorophenoxy)-3-methoxypropanoic acid
CID 83704060
2-(3,4-difluorophenoxy)butanoic acid
CID 43808864
2-(3-fluoro-5-methylphenoxy)propanoic acid
CID 155818587

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,5-difluorophenoxy)butanoic acid?
The IUPAC name of 4-amino-2-(3,5-difluorophenoxy)butanoic acid (CID 64695243) is 4-amino-2-(3,5-difluorophenoxy)butanoic acid.
What is the SMILES notation for 4-amino-2-(3,5-difluorophenoxy)butanoic acid?
The canonical SMILES for 4-amino-2-(3,5-difluorophenoxy)butanoic acid is NCCC(Oc1cc(F)cc(F)c1)C(=O)O.
What is the InChIKey of 4-amino-2-(3,5-difluorophenoxy)butanoic acid?
The InChIKey is ZOKVQWSBLZDXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c11-6-3-7(12)5-8(4-6)16-9(1-2-13)10(14)15/h3-5,9H,1-2,13H2,(H,14,15).
What are the key properties of 4-amino-2-(3,5-difluorophenoxy)butanoic acid?
4-amino-2-(3,5-difluorophenoxy)butanoic acid has a molecular weight of 231.20 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,5-difluorophenoxy)butanoic acid is sourced from PubChem (CID 64695243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).