2-[[2,2-difluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanedioic acid

C10H15F2NO6 — CID 59170370

IUPAC2-[[2,2-difluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanedioic acid
SMILESCC(C)(C)OC(F)(F)C(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C10H15F2NO6/c1-9(2,3)19-10(11,12)8(18)13-5(7(16)17)4-6(14)15/h5H,4H2,1-3H3,(H,13,18)(H,14,15)(H,16,17)
InChIKeyZNUGAUVJQRMSKG-UHFFFAOYSA-N
MW283.23 g/mol
LogP0.44
Rot. Bonds6

About 2-[[2,2-difluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanedioic acid

2-[[2,2-difluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanedioic acid (PubChem CID 59170370) has the molecular formula C10H15F2NO6 and a molecular weight of 283.23 g/mol. Its IUPAC name is 2-[[2,2-difluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanedioic acid.

Molecular Properties

Compound Name2-[[2,2-difluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanedioic acid
PubChem CID59170370
Molecular FormulaC10H15F2NO6
Molecular Weight283.23 g/mol
Exact Mass283.09
IUPAC Name2-[[2,2-difluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanedioic acid
SMILESCC(C)(C)OC(F)(F)C(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C10H15F2NO6/c1-9(2,3)19-10(11,12)8(18)13-5(7(16)17)4-6(14)15/h5H,4H2,1-3H3,(H,13,18)(H,14,15)(H,16,17)
InChIKeyZNUGAUVJQRMSKG-UHFFFAOYSA-N
XLogP0.44
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-difluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanedioic acid?
The IUPAC name of 2-[[2,2-difluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanedioic acid (CID 59170370) is 2-[[2,2-difluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanedioic acid.
What is the SMILES notation for 2-[[2,2-difluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanedioic acid?
The canonical SMILES for 2-[[2,2-difluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanedioic acid is CC(C)(C)OC(F)(F)C(=O)NC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[[2,2-difluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanedioic acid?
The InChIKey is ZNUGAUVJQRMSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO6/c1-9(2,3)19-10(11,12)8(18)13-5(7(16)17)4-6(14)15/h5H,4H2,1-3H3,(H,13,18)(H,14,15)(H,16,17).
What are the key properties of 2-[[2,2-difluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanedioic acid?
2-[[2,2-difluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanedioic acid has a molecular weight of 283.23 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-difluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanedioic acid is sourced from PubChem (CID 59170370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).