2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid

C13H15F2NO3 — CID 63269768

IUPAC2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid
SMILESO=C(O)C(CCOc1cc(F)ccc1F)NC1CC1
InChIInChI=1S/C13H15F2NO3/c14-8-1-4-10(15)12(7-8)19-6-5-11(13(17)18)16-9-2-3-9/h1,4,7,9,11,16H,2-3,5-6H2,(H,17,18)
InChIKeyLOKXOCPLZGEPGG-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.94
Rot. Bonds7

About 2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid

2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid (PubChem CID 63269768) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid
PubChem CID63269768
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid
SMILESO=C(O)C(CCOc1cc(F)ccc1F)NC1CC1
InChIInChI=1S/C13H15F2NO3/c14-8-1-4-10(15)12(7-8)19-6-5-11(13(17)18)16-9-2-3-9/h1,4,7,9,11,16H,2-3,5-6H2,(H,17,18)
InChIKeyLOKXOCPLZGEPGG-UHFFFAOYSA-N
XLogP1.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propanoic acid
CID 55167943
2-(cyclopropylamino)-4-(5-fluoro-2-nitrophenoxy)butanoic acid
CID 63040724
4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butanoic acid
CID 63273100
2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid
CID 55143193
methyl 4-(2,5-difluorophenoxy)-2-(methylamino)butanoate
CID 63269811
2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide
CID 63038366
2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol
CID 64809098
4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide
CID 63269722
methyl 2-amino-4-(2,5-difluorophenoxy)butanoate
CID 63273139
2-(cyclopropylamino)-4-(3,4-difluorophenoxy)butanamide
CID 63035661
2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide
CID 63039927
2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol
CID 102988049

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid (CID 63269768) is 2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid is O=C(O)C(CCOc1cc(F)ccc1F)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid?
The InChIKey is LOKXOCPLZGEPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c14-8-1-4-10(15)12(7-8)19-6-5-11(13(17)18)16-9-2-3-9/h1,4,7,9,11,16H,2-3,5-6H2,(H,17,18).
What are the key properties of 2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid?
2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid has a molecular weight of 271.26 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid is sourced from PubChem (CID 63269768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).