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

C12H13F2NO3 — CID 55167943

IUPAC2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propanoic acid
SMILESO=C(O)C(COc1cc(F)ccc1F)NC1CC1
InChIInChI=1S/C12H13F2NO3/c13-7-1-4-9(14)11(5-7)18-6-10(12(16)17)15-8-2-3-8/h1,4-5,8,10,15H,2-3,6H2,(H,16,17)
InChIKeyLWZMECJTCGITTH-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.55
Rot. Bonds6

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

2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propanoic acid (PubChem CID 55167943) has the molecular formula C12H13F2NO3 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propanoic acid
PubChem CID55167943
Molecular FormulaC12H13F2NO3
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propanoic acid
SMILESO=C(O)C(COc1cc(F)ccc1F)NC1CC1
InChIInChI=1S/C12H13F2NO3/c13-7-1-4-9(14)11(5-7)18-6-10(12(16)17)15-8-2-3-8/h1,4-5,8,10,15H,2-3,6H2,(H,16,17)
InChIKeyLWZMECJTCGITTH-UHFFFAOYSA-N
XLogP1.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid
CID 63269768
2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol
CID 64809098
3-(4-bromo-5-fluoro-2-nitrophenoxy)-2-(cyclopropylamino)propanoic acid
CID 103484038
2-(cyclopropylamino)-4-(5-fluoro-2-nitrophenoxy)butanoic acid
CID 63040724
3-(2,5-difluorophenoxy)-2-phenylpropanoic acid
CID 63272958
3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid
CID 63272996
3-(2,5-difluorophenoxy)-2-(propan-2-ylamino)propanamide
CID 63269588
4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butanoic acid
CID 63273100
(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid
CID 59456425
2-(cyclopropylamino)-3-(5-methoxy-2-nitrophenoxy)propanoic acid
CID 102703444
2-(cyclopropylamino)-3-(2,5-difluoro-4-nitrophenoxy)propanamide
CID 63599204
2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol
CID 64856319

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propanoic acid?
The IUPAC name of 2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propanoic acid (CID 55167943) is 2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propanoic acid is O=C(O)C(COc1cc(F)ccc1F)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propanoic acid?
The InChIKey is LWZMECJTCGITTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO3/c13-7-1-4-9(14)11(5-7)18-6-10(12(16)17)15-8-2-3-8/h1,4-5,8,10,15H,2-3,6H2,(H,16,17).
What are the key properties of 2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propanoic acid?
2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propanoic acid has a molecular weight of 257.24 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propanoic acid is sourced from PubChem (CID 55167943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).