3-[2,2-difluoroethyl(propan-2-yl)amino]propanoic acid

C8H15F2NO2 — CID 60922807

IUPAC3-[2,2-difluoroethyl(propan-2-yl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)CC(F)F
InChIInChI=1S/C8H15F2NO2/c1-6(2)11(5-7(9)10)4-3-8(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyXDELNNKIQDBQST-UHFFFAOYSA-N
MW195.21 g/mol
LogP1.44
Rot. Bonds6

About 3-[2,2-difluoroethyl(propan-2-yl)amino]propanoic acid

3-[2,2-difluoroethyl(propan-2-yl)amino]propanoic acid (PubChem CID 60922807) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(propan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(propan-2-yl)amino]propanoic acid
PubChem CID60922807
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name3-[2,2-difluoroethyl(propan-2-yl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)CC(F)F
InChIInChI=1S/C8H15F2NO2/c1-6(2)11(5-7(9)10)4-3-8(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyXDELNNKIQDBQST-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Diethylamino)-2-fluoropropanoic acid hydrochloride
CID 71755875
3-(Dimethylamino)-2,2-difluoropropanoic acid hydrochloride
CID 155821089
N,N-diisopropylethylamine trifluoroacetate
CID 12593398
2-[(Diethylamino)methyl]-3,3,3-trifluoropropanoic acid
CID 13637580
3-(Isopropyl(methyl)amino)propanoic acid
CID 17770037
3-[Methyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 60892343
1-(1,1,1-Trifluoro-2-methylpropan-2-yl)azetidine-3-carboxylic acid
CID 67321115
1-(1,1,1-Trifluoropropan-2-yl)azetidine-3-carboxylic acid
CID 67322346
2-[(Dimethylamino)methyl]-3,3,3-trifluoropropanoic acid
CID 80996003
3-(Dimethylamino)-2-fluoropropanoic acid
CID 84648240
3-(Dimethylamino)-2,2-difluoropropanoic acid
CID 84649708
(2S)-2-[methyl(1,1,1-trifluorobutan-2-yl)amino]propanoic acid
CID 134423882

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(propan-2-yl)amino]propanoic acid?
The IUPAC name of 3-[2,2-difluoroethyl(propan-2-yl)amino]propanoic acid (CID 60922807) is 3-[2,2-difluoroethyl(propan-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[2,2-difluoroethyl(propan-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[2,2-difluoroethyl(propan-2-yl)amino]propanoic acid is CC(C)N(CCC(=O)O)CC(F)F.
What is the InChIKey of 3-[2,2-difluoroethyl(propan-2-yl)amino]propanoic acid?
The InChIKey is XDELNNKIQDBQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-6(2)11(5-7(9)10)4-3-8(12)13/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 3-[2,2-difluoroethyl(propan-2-yl)amino]propanoic acid?
3-[2,2-difluoroethyl(propan-2-yl)amino]propanoic acid has a molecular weight of 195.21 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(propan-2-yl)amino]propanoic acid is sourced from PubChem (CID 60922807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).