3-[(2-ethoxy-2,2-difluoroacetyl)amino]propanoic acid

C7H11F2NO4 — CID 89126191

IUPAC3-[(2-ethoxy-2,2-difluoroacetyl)amino]propanoic acid
SMILESCCOC(F)(F)C(=O)NCCC(=O)O
InChIInChI=1S/C7H11F2NO4/c1-2-14-7(8,9)6(13)10-4-3-5(11)12/h2-4H2,1H3,(H,10,13)(H,11,12)
InChIKeyPJHYVYZXEOAKLC-UHFFFAOYSA-N
MW211.16 g/mol
LogP0.21
Rot. Bonds6

About 3-[(2-ethoxy-2,2-difluoroacetyl)amino]propanoic acid

3-[(2-ethoxy-2,2-difluoroacetyl)amino]propanoic acid (PubChem CID 89126191) has the molecular formula C7H11F2NO4 and a molecular weight of 211.16 g/mol. Its IUPAC name is 3-[(2-ethoxy-2,2-difluoroacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-ethoxy-2,2-difluoroacetyl)amino]propanoic acid
PubChem CID89126191
Molecular FormulaC7H11F2NO4
Molecular Weight211.16 g/mol
Exact Mass211.07
IUPAC Name3-[(2-ethoxy-2,2-difluoroacetyl)amino]propanoic acid
SMILESCCOC(F)(F)C(=O)NCCC(=O)O
InChIInChI=1S/C7H11F2NO4/c1-2-14-7(8,9)6(13)10-4-3-5(11)12/h2-4H2,1H3,(H,10,13)(H,11,12)
InChIKeyPJHYVYZXEOAKLC-UHFFFAOYSA-N
XLogP0.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-2,2-difluoroacetyl)amino]propanoic acid?
The IUPAC name of 3-[(2-ethoxy-2,2-difluoroacetyl)amino]propanoic acid (CID 89126191) is 3-[(2-ethoxy-2,2-difluoroacetyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-ethoxy-2,2-difluoroacetyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-ethoxy-2,2-difluoroacetyl)amino]propanoic acid is CCOC(F)(F)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[(2-ethoxy-2,2-difluoroacetyl)amino]propanoic acid?
The InChIKey is PJHYVYZXEOAKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO4/c1-2-14-7(8,9)6(13)10-4-3-5(11)12/h2-4H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 3-[(2-ethoxy-2,2-difluoroacetyl)amino]propanoic acid?
3-[(2-ethoxy-2,2-difluoroacetyl)amino]propanoic acid has a molecular weight of 211.16 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-2,2-difluoroacetyl)amino]propanoic acid is sourced from PubChem (CID 89126191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).