3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid

C14H19F2NO3 — CID 82007199

IUPAC3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid
SMILESCCCNC(COCC(F)F)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H19F2NO3/c1-2-8-17-14(13(18)19,10-20-9-12(15)16)11-6-4-3-5-7-11/h3-7,12,17H,2,8-10H2,1H3,(H,18,19)
InChIKeyZNFWMGBMZLRMEC-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.25
Rot. Bonds9

About 3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid

3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid (PubChem CID 82007199) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid
PubChem CID82007199
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid
SMILESCCCNC(COCC(F)F)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H19F2NO3/c1-2-8-17-14(13(18)19,10-20-9-12(15)16)11-6-4-3-5-7-11/h3-7,12,17H,2,8-10H2,1H3,(H,18,19)
InChIKeyZNFWMGBMZLRMEC-UHFFFAOYSA-N
XLogP2.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)butanoic acid
CID 116694434
3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid
CID 106204230
ethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate
CID 82006590
3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanenitrile
CID 82006099
3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid
CID 62140296
3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid
CID 102607406
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid
CID 82007448
2-(ethylamino)-3-(2-methylpentoxy)-2-phenylpropanamide
CID 103284960
ethyl 2-amino-3-(2,2-difluoroethoxy)-2-phenylpropanoate
CID 82007437
4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide
CID 116694445
3-(4-hydroxybutan-2-ylsulfanyl)-2-phenyl-2-(propylamino)propanoic acid
CID 66137308
2-(3-methylbutylamino)-2-phenylbutanoic acid
CID 114992700

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid?
The IUPAC name of 3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid (CID 82007199) is 3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid?
The canonical SMILES for 3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid is CCCNC(COCC(F)F)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid?
The InChIKey is ZNFWMGBMZLRMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-2-8-17-14(13(18)19,10-20-9-12(15)16)11-6-4-3-5-7-11/h3-7,12,17H,2,8-10H2,1H3,(H,18,19).
What are the key properties of 3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid?
3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid has a molecular weight of 287.31 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid is sourced from PubChem (CID 82007199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).