2-amino-3-[4-(3-fluorocyclobutyl)oxyphenyl]propanoic acid

C13H16FNO3 — CID 75302269

IUPAC2-amino-3-[4-(3-fluorocyclobutyl)oxyphenyl]propanoic acid
SMILESNC(Cc1ccc(OC2CC(F)C2)cc1)C(=O)O
InChIInChI=1S/C13H16FNO3/c14-9-6-11(7-9)18-10-3-1-8(2-4-10)5-12(15)13(16)17/h1-4,9,11-12H,5-7,15H2,(H,16,17)
InChIKeyAJZRDQFGXMMUPH-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.52
Rot. Bonds5

About 2-amino-3-[4-(3-fluorocyclobutyl)oxyphenyl]propanoic acid

2-amino-3-[4-(3-fluorocyclobutyl)oxyphenyl]propanoic acid (PubChem CID 75302269) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-amino-3-[4-(3-fluorocyclobutyl)oxyphenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-(3-fluorocyclobutyl)oxyphenyl]propanoic acid
PubChem CID75302269
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-amino-3-[4-(3-fluorocyclobutyl)oxyphenyl]propanoic acid
SMILESNC(Cc1ccc(OC2CC(F)C2)cc1)C(=O)O
InChIInChI=1S/C13H16FNO3/c14-9-6-11(7-9)18-10-3-1-8(2-4-10)5-12(15)13(16)17/h1-4,9,11-12H,5-7,15H2,(H,16,17)
InChIKeyAJZRDQFGXMMUPH-UHFFFAOYSA-N
XLogP1.52
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-[[4-(3-fluorocyclobutyl)oxyphenyl]methyl]pentanedioic acid
CID 70941230
2-[4-(2-amino-2-carboxyethyl)phenoxy]-2-fluoropropanedioic acid
CID 4631018
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
2-amino-3-(4-fluorosulfonyloxyphenyl)propanoic acid
CID 130202342
(2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid
CID 11499578
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid;trihydroiodide
CID 159230328
(2S)-2-amino-3-[4-(3-fluoropropoxy)phenyl]propanoic acid;hydrochloride
CID 118157791
2-amino-3-[4-[hydroxy(methoxy)boranyl]oxyphenyl]propanoic acid
CID 175188819
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(3-fluorocyclobutyl)oxyphenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-(3-fluorocyclobutyl)oxyphenyl]propanoic acid (CID 75302269) is 2-amino-3-[4-(3-fluorocyclobutyl)oxyphenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-(3-fluorocyclobutyl)oxyphenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-(3-fluorocyclobutyl)oxyphenyl]propanoic acid is NC(Cc1ccc(OC2CC(F)C2)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-[4-(3-fluorocyclobutyl)oxyphenyl]propanoic acid?
The InChIKey is AJZRDQFGXMMUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c14-9-6-11(7-9)18-10-3-1-8(2-4-10)5-12(15)13(16)17/h1-4,9,11-12H,5-7,15H2,(H,16,17).
What are the key properties of 2-amino-3-[4-(3-fluorocyclobutyl)oxyphenyl]propanoic acid?
2-amino-3-[4-(3-fluorocyclobutyl)oxyphenyl]propanoic acid has a molecular weight of 253.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(3-fluorocyclobutyl)oxyphenyl]propanoic acid is sourced from PubChem (CID 75302269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).