3,3-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylic acid

C11H17F2NO4 — CID 135393192

IUPAC3,3-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylic acid
SMILESCN(C(=O)OC(C)(C)C)C1(C(=O)O)CC(F)(F)C1
InChIInChI=1S/C11H17F2NO4/c1-9(2,3)18-8(17)14(4)10(7(15)16)5-11(12,13)6-10/h5-6H2,1-4H3,(H,15,16)
InChIKeyOEHSTQRYVXRMCX-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.11
Rot. Bonds2

About 3,3-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylic acid

3,3-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 135393192) has the molecular formula C11H17F2NO4 and a molecular weight of 265.26 g/mol. Its IUPAC name is 3,3-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3,3-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylic acid
PubChem CID135393192
Molecular FormulaC11H17F2NO4
Molecular Weight265.26 g/mol
Exact Mass265.11
IUPAC Name3,3-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylic acid
SMILESCN(C(=O)OC(C)(C)C)C1(C(=O)O)CC(F)(F)C1
InChIInChI=1S/C11H17F2NO4/c1-9(2,3)18-8(17)14(4)10(7(15)16)5-11(12,13)6-10/h5-6H2,1-4H3,(H,15,16)
InChIKeyOEHSTQRYVXRMCX-UHFFFAOYSA-N
XLogP2.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3,3-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylic acid (CID 135393192) is 3,3-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3,3-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3,3-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylic acid is CN(C(=O)OC(C)(C)C)C1(C(=O)O)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is OEHSTQRYVXRMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO4/c1-9(2,3)18-8(17)14(4)10(7(15)16)5-11(12,13)6-10/h5-6H2,1-4H3,(H,15,16).
What are the key properties of 3,3-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylic acid?
3,3-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 135393192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).