5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid

C13H15F2NO4 — CID 60941319

IUPAC5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H15F2NO4/c14-13(15)20-10-6-4-9(5-7-10)8-16-11(17)2-1-3-12(18)19/h4-7,13H,1-3,8H2,(H,16,17)(H,18,19)
InChIKeyFXWYTVIFIVUIIM-UHFFFAOYSA-N
MW287.26 g/mol
LogP2.16
Rot. Bonds8

About 5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid

5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid (PubChem CID 60941319) has the molecular formula C13H15F2NO4 and a molecular weight of 287.26 g/mol. Its IUPAC name is 5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid
PubChem CID60941319
Molecular FormulaC13H15F2NO4
Molecular Weight287.26 g/mol
Exact Mass287.10
IUPAC Name5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H15F2NO4/c14-13(15)20-10-6-4-9(5-7-10)8-16-11(17)2-1-3-12(18)19/h4-7,13H,1-3,8H2,(H,16,17)(H,18,19)
InChIKeyFXWYTVIFIVUIIM-UHFFFAOYSA-N
XLogP2.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(difluoromethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 54867549
7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride
CID 119689633
N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922848
N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
CID 79200943
6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid
CID 119220006
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 24644344
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
4-[[4-(difluoromethoxy)phenyl]methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302546
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide
CID 46671165
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137306027

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid (CID 60941319) is 5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of 5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid?
The InChIKey is FXWYTVIFIVUIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO4/c14-13(15)20-10-6-4-9(5-7-10)8-16-11(17)2-1-3-12(18)19/h4-7,13H,1-3,8H2,(H,16,17)(H,18,19).
What are the key properties of 5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid?
5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid has a molecular weight of 287.26 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 60941319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).