3-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid

C8H11F2NO3 — CID 119350935

IUPAC3-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1CC(F)(F)C1
InChIInChI=1S/C8H11F2NO3/c9-8(10)3-5(4-8)7(14)11-2-1-6(12)13/h5H,1-4H2,(H,11,14)(H,12,13)
InChIKeyVMUKYIXUIVJMMD-UHFFFAOYSA-N
MW207.18 g/mol
LogP0.62
Rot. Bonds4

About 3-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid

3-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid (PubChem CID 119350935) has the molecular formula C8H11F2NO3 and a molecular weight of 207.18 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid
PubChem CID119350935
Molecular FormulaC8H11F2NO3
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Name3-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1CC(F)(F)C1
InChIInChI=1S/C8H11F2NO3/c9-8(10)3-5(4-8)7(14)11-2-1-6(12)13/h5H,1-4H2,(H,11,14)(H,12,13)
InChIKeyVMUKYIXUIVJMMD-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid?
The IUPAC name of 3-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid (CID 119350935) is 3-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid is O=C(O)CCNC(=O)C1CC(F)(F)C1.
What is the InChIKey of 3-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid?
The InChIKey is VMUKYIXUIVJMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO3/c9-8(10)3-5(4-8)7(14)11-2-1-6(12)13/h5H,1-4H2,(H,11,14)(H,12,13).
What are the key properties of 3-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid?
3-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid has a molecular weight of 207.18 g/mol, XLogP of 0.62, 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]propanoic acid is sourced from PubChem (CID 119350935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).