2-[(3,3-difluorocyclobutyl)amino]-2-oxoacetic acid

C6H7F2NO3 — CID 131153136

IUPAC2-[(3,3-difluorocyclobutyl)amino]-2-oxoacetic acid
SMILESO=C(O)C(=O)NC1CC(F)(F)C1
InChIInChI=1S/C6H7F2NO3/c7-6(8)1-3(2-6)9-4(10)5(11)12/h3H,1-2H2,(H,9,10)(H,11,12)
InChIKeyYFLMXGXZHGVUIK-UHFFFAOYSA-N
MW179.12 g/mol
LogP-0.02
Rot. Bonds1

About 2-[(3,3-difluorocyclobutyl)amino]-2-oxoacetic acid

2-[(3,3-difluorocyclobutyl)amino]-2-oxoacetic acid (PubChem CID 131153136) has the molecular formula C6H7F2NO3 and a molecular weight of 179.12 g/mol. Its IUPAC name is 2-[(3,3-difluorocyclobutyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(3,3-difluorocyclobutyl)amino]-2-oxoacetic acid
PubChem CID131153136
Molecular FormulaC6H7F2NO3
Molecular Weight179.12 g/mol
Exact Mass179.04
IUPAC Name2-[(3,3-difluorocyclobutyl)amino]-2-oxoacetic acid
SMILESO=C(O)C(=O)NC1CC(F)(F)C1
InChIInChI=1S/C6H7F2NO3/c7-6(8)1-3(2-6)9-4(10)5(11)12/h3H,1-2H2,(H,9,10)(H,11,12)
InChIKeyYFLMXGXZHGVUIK-UHFFFAOYSA-N
XLogP-0.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.12
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-difluorocyclobutyl)-3-methylbut-2-enamide
CID 126994062
[(3R)-5,5-difluoropiperidin-3-yl]carbamic acid
CID 146599209
1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea
CID 130609514
2-[(1-methylpiperidin-4-yl)amino]-2-oxoacetic acid
CID 43444893
1-but-2-ynyl-3-(3,3-difluorocyclobutyl)-1-methylurea
CID 132970402
3,3-difluoro-N-(oxetan-3-yl)cyclobutane-1-carboxamide
CID 130843839
2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid
CID 130620105
N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-methylpropanamide
CID 166170306
N-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide
CID 126791351
6-amino-N-(3,3-difluorocyclobutyl)pyridine-3-carboxamide
CID 171037193
5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide
CID 155293429
2-[(3-methylsulfanylcyclopentyl)amino]-2-oxoacetic acid
CID 104768128

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluorocyclobutyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[(3,3-difluorocyclobutyl)amino]-2-oxoacetic acid (CID 131153136) is 2-[(3,3-difluorocyclobutyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[(3,3-difluorocyclobutyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[(3,3-difluorocyclobutyl)amino]-2-oxoacetic acid is O=C(O)C(=O)NC1CC(F)(F)C1.
What is the InChIKey of 2-[(3,3-difluorocyclobutyl)amino]-2-oxoacetic acid?
The InChIKey is YFLMXGXZHGVUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO3/c7-6(8)1-3(2-6)9-4(10)5(11)12/h3H,1-2H2,(H,9,10)(H,11,12).
What are the key properties of 2-[(3,3-difluorocyclobutyl)amino]-2-oxoacetic acid?
2-[(3,3-difluorocyclobutyl)amino]-2-oxoacetic acid has a molecular weight of 179.12 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluorocyclobutyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 131153136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).