2-(2-amino-5-fluorophenoxy)butanoic acid

C10H12FNO3 — CID 64669488

IUPAC2-(2-amino-5-fluorophenoxy)butanoic acid
SMILESCCC(Oc1cc(F)ccc1N)C(=O)O
InChIInChI=1S/C10H12FNO3/c1-2-8(10(13)14)15-9-5-6(11)3-4-7(9)12/h3-5,8H,2,12H2,1H3,(H,13,14)
InChIKeyMXZACKOQUPMDPC-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.65
Rot. Bonds4

About 2-(2-amino-5-fluorophenoxy)butanoic acid

2-(2-amino-5-fluorophenoxy)butanoic acid (PubChem CID 64669488) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenoxy)butanoic acid.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenoxy)butanoic acid
PubChem CID64669488
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name2-(2-amino-5-fluorophenoxy)butanoic acid
SMILESCCC(Oc1cc(F)ccc1N)C(=O)O
InChIInChI=1S/C10H12FNO3/c1-2-8(10(13)14)15-9-5-6(11)3-4-7(9)12/h3-5,8H,2,12H2,1H3,(H,13,14)
InChIKeyMXZACKOQUPMDPC-UHFFFAOYSA-N
XLogP1.65
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(2,5-difluorophenoxy)propanoic acid
CID 64695247
2-(1-amino-1-oxobutan-2-yl)oxy-5-fluorobenzoic acid
CID 115297987
4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid
CID 102988005
2-(2-amino-5-fluorophenoxy)propane-1,3-diol
CID 117095564
2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline
CID 58413286
(2-amino-5-fluorophenyl) 2-hydroxyacetate
CID 117095582
2-[2-(2-aminobutyl)phenoxy]butanoic acid
CID 64661989
2-(2-amino-4-methylphenoxy)-1-(4-fluorophenyl)butan-1-one
CID 46307899
2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide
CID 43116075
ethane;(2R)-2-(2-methylphenoxy)butanoic acid
CID 143919968
2-(3,4-difluorophenoxy)butanoic acid
CID 43808864
2-(2-bromophenoxy)butanoic acid
CID 18786119

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenoxy)butanoic acid?
The IUPAC name of 2-(2-amino-5-fluorophenoxy)butanoic acid (CID 64669488) is 2-(2-amino-5-fluorophenoxy)butanoic acid.
What is the SMILES notation for 2-(2-amino-5-fluorophenoxy)butanoic acid?
The canonical SMILES for 2-(2-amino-5-fluorophenoxy)butanoic acid is CCC(Oc1cc(F)ccc1N)C(=O)O.
What is the InChIKey of 2-(2-amino-5-fluorophenoxy)butanoic acid?
The InChIKey is MXZACKOQUPMDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-2-8(10(13)14)15-9-5-6(11)3-4-7(9)12/h3-5,8H,2,12H2,1H3,(H,13,14).
What are the key properties of 2-(2-amino-5-fluorophenoxy)butanoic acid?
2-(2-amino-5-fluorophenoxy)butanoic acid has a molecular weight of 213.21 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenoxy)butanoic acid is sourced from PubChem (CID 64669488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).