2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid

C7H13F2NO3 — CID 165464166

IUPAC2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid
SMILESCC(C)(CO)NCC(F)(F)C(=O)O
InChIInChI=1S/C7H13F2NO3/c1-6(2,4-11)10-3-7(8,9)5(12)13/h10-11H,3-4H2,1-2H3,(H,12,13)
InChIKeyXPPDSKUZOBSBFZ-UHFFFAOYSA-N
MW197.18 g/mol
LogP0.07
Rot. Bonds5

About 2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid

2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid (PubChem CID 165464166) has the molecular formula C7H13F2NO3 and a molecular weight of 197.18 g/mol. Its IUPAC name is 2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid
PubChem CID165464166
Molecular FormulaC7H13F2NO3
Molecular Weight197.18 g/mol
Exact Mass197.09
IUPAC Name2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid
SMILESCC(C)(CO)NCC(F)(F)C(=O)O
InChIInChI=1S/C7H13F2NO3/c1-6(2,4-11)10-3-7(8,9)5(12)13/h10-11H,3-4H2,1-2H3,(H,12,13)
InChIKeyXPPDSKUZOBSBFZ-UHFFFAOYSA-N
XLogP0.07
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid
CID 165465852
2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid
CID 104643937
3-[(3,3-difluoro-4-hydroxybutyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 167936407
2-[(2,2-difluoro-2-phenylethyl)amino]-2-methylpropan-1-ol
CID 116788835
2-(2,2-dimethylpentylamino)-2-methylpropan-1-ol
CID 115133723
2-[[2-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 58721712
2,2-difluoro-3-[(3-hydroxy-2-methylpropyl)amino]propanoic acid
CID 165464133
2,2-difluoro-5,5-dimethylhexanoic acid
CID 83855276
(2-fluoro-3-hydroxy-2-methylpropyl)carbamic acid
CID 126688385
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;silver
CID 87183667
2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylamino]-2-methylpropan-1-ol;methane
CID 158688440
cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
CID 174867740

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid?
The IUPAC name of 2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid (CID 165464166) is 2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid?
The canonical SMILES for 2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid is CC(C)(CO)NCC(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid?
The InChIKey is XPPDSKUZOBSBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO3/c1-6(2,4-11)10-3-7(8,9)5(12)13/h10-11H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid?
2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid has a molecular weight of 197.18 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid is sourced from PubChem (CID 165464166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).