2-amino-2-cyclobutyl-3,3-difluoropropanoic acid

C7H11F2NO2 — CID 105437833

IUPAC2-amino-2-cyclobutyl-3,3-difluoropropanoic acid
SMILESNC(C(=O)O)(C(F)F)C1CCC1
InChIInChI=1S/C7H11F2NO2/c8-5(9)7(10,6(11)12)4-2-1-3-4/h4-5H,1-3,10H2,(H,11,12)
InChIKeyWYBUWOCZJYNPNZ-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.83
Rot. Bonds3

About 2-amino-2-cyclobutyl-3,3-difluoropropanoic acid

2-amino-2-cyclobutyl-3,3-difluoropropanoic acid (PubChem CID 105437833) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-amino-2-cyclobutyl-3,3-difluoropropanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclobutyl-3,3-difluoropropanoic acid
PubChem CID105437833
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2-amino-2-cyclobutyl-3,3-difluoropropanoic acid
SMILESNC(C(=O)O)(C(F)F)C1CCC1
InChIInChI=1S/C7H11F2NO2/c8-5(9)7(10,6(11)12)4-2-1-3-4/h4-5H,1-3,10H2,(H,11,12)
InChIKeyWYBUWOCZJYNPNZ-UHFFFAOYSA-N
XLogP0.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate
CID 105477233
methyl 2-amino-2-cyclopropyl-3,3-difluoropropanoate
CID 105437831
2-amino-2-cyclohexyl-2-fluoroacetic acid
CID 176668442
(2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid
CID 67022454
2-amino-2-cyclopentyl-3-fluoro-3-methylbutanoic acid
CID 105455425
(2S)-2-amino-2-cyclopentylpropanoic acid;hydrochloride
CID 66824792
2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid
CID 105455433
2-(3-fluorocyclohexyl)-2-methylpropanoic acid
CID 84732891
3-amino-2-cyclobutyl-2-cyclopropylpropanoic acid
CID 106489641
2-cyclobutyl-2-hydroxy-3-methylbutanoic acid
CID 81251876
3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid
CID 105443208
2-amino-2,2-di(cyclobutyl)acetate
CID 19431537

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclobutyl-3,3-difluoropropanoic acid?
The IUPAC name of 2-amino-2-cyclobutyl-3,3-difluoropropanoic acid (CID 105437833) is 2-amino-2-cyclobutyl-3,3-difluoropropanoic acid.
What is the SMILES notation for 2-amino-2-cyclobutyl-3,3-difluoropropanoic acid?
The canonical SMILES for 2-amino-2-cyclobutyl-3,3-difluoropropanoic acid is NC(C(=O)O)(C(F)F)C1CCC1.
What is the InChIKey of 2-amino-2-cyclobutyl-3,3-difluoropropanoic acid?
The InChIKey is WYBUWOCZJYNPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-5(9)7(10,6(11)12)4-2-1-3-4/h4-5H,1-3,10H2,(H,11,12).
What are the key properties of 2-amino-2-cyclobutyl-3,3-difluoropropanoic acid?
2-amino-2-cyclobutyl-3,3-difluoropropanoic acid has a molecular weight of 179.17 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclobutyl-3,3-difluoropropanoic acid is sourced from PubChem (CID 105437833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).