3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid

C12H13F2NO5 — CID 106107907

IUPAC3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1ccccc1OC(F)F)C(=O)O
InChIInChI=1S/C12H13F2NO5/c1-19-9(11(17)18)6-15-10(16)7-4-2-3-5-8(7)20-12(13)14/h2-5,9,12H,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyQROUNVYJFMUOSN-UHFFFAOYSA-N
MW289.23 g/mol
LogP1.12
Rot. Bonds7

About 3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid

3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid (PubChem CID 106107907) has the molecular formula C12H13F2NO5 and a molecular weight of 289.23 g/mol. Its IUPAC name is 3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid
PubChem CID106107907
Molecular FormulaC12H13F2NO5
Molecular Weight289.23 g/mol
Exact Mass289.08
IUPAC Name3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1ccccc1OC(F)F)C(=O)O
InChIInChI=1S/C12H13F2NO5/c1-19-9(11(17)18)6-15-10(16)7-4-2-3-5-8(7)20-12(13)14/h2-5,9,12H,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyQROUNVYJFMUOSN-UHFFFAOYSA-N
XLogP1.12
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid (CID 106107907) is 3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid is COC(CNC(=O)c1ccccc1OC(F)F)C(=O)O.
What is the InChIKey of 3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid?
The InChIKey is QROUNVYJFMUOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO5/c1-19-9(11(17)18)6-15-10(16)7-4-2-3-5-8(7)20-12(13)14/h2-5,9,12H,6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid?
3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid has a molecular weight of 289.23 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106107907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).