3-[(3,3-difluorocyclobutanecarbonyl)amino]-2,2-dimethylpropanoic acid

C10H15F2NO3 — CID 177183455

IUPAC3-[(3,3-difluorocyclobutanecarbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C1CC(F)(F)C1)C(=O)O
InChIInChI=1S/C10H15F2NO3/c1-9(2,8(15)16)5-13-7(14)6-3-10(11,12)4-6/h6H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyMOSNVKKVLFSXAY-UHFFFAOYSA-N
MW235.23 g/mol
LogP1.26
Rot. Bonds4

About 3-[(3,3-difluorocyclobutanecarbonyl)amino]-2,2-dimethylpropanoic acid

3-[(3,3-difluorocyclobutanecarbonyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 177183455) has the molecular formula C10H15F2NO3 and a molecular weight of 235.23 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclobutanecarbonyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(3,3-difluorocyclobutanecarbonyl)amino]-2,2-dimethylpropanoic acid
PubChem CID177183455
Molecular FormulaC10H15F2NO3
Molecular Weight235.23 g/mol
Exact Mass235.10
IUPAC Name3-[(3,3-difluorocyclobutanecarbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C1CC(F)(F)C1)C(=O)O
InChIInChI=1S/C10H15F2NO3/c1-9(2,8(15)16)5-13-7(14)6-3-10(11,12)4-6/h6H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyMOSNVKKVLFSXAY-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(3,3-difluorocyclobutanecarbonyl)amino]-2,2-dimethylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclobutanecarbonyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(3,3-difluorocyclobutanecarbonyl)amino]-2,2-dimethylpropanoic acid (CID 177183455) is 3-[(3,3-difluorocyclobutanecarbonyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(3,3-difluorocyclobutanecarbonyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(3,3-difluorocyclobutanecarbonyl)amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)C1CC(F)(F)C1)C(=O)O.
What is the InChIKey of 3-[(3,3-difluorocyclobutanecarbonyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is MOSNVKKVLFSXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO3/c1-9(2,8(15)16)5-13-7(14)6-3-10(11,12)4-6/h6H,3-5H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(3,3-difluorocyclobutanecarbonyl)amino]-2,2-dimethylpropanoic acid?
3-[(3,3-difluorocyclobutanecarbonyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 235.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclobutanecarbonyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 177183455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).