3,3-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid

C11H18F2N2O4 — CID 67501031

IUPAC3,3-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CN(C(=O)O)CC(F)(F)C1
InChIInChI=1S/C11H18F2N2O4/c1-10(2,3)19-8(16)14-7-4-11(12,13)6-15(5-7)9(17)18/h7H,4-6H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyHVAHAZKYKZRSDF-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.90
Rot. Bonds1

About 3,3-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid

3,3-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid (PubChem CID 67501031) has the molecular formula C11H18F2N2O4 and a molecular weight of 280.27 g/mol. Its IUPAC name is 3,3-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3,3-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
PubChem CID67501031
Molecular FormulaC11H18F2N2O4
Molecular Weight280.27 g/mol
Exact Mass280.12
IUPAC Name3,3-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CN(C(=O)O)CC(F)(F)C1
InChIInChI=1S/C11H18F2N2O4/c1-10(2,3)19-8(16)14-7-4-11(12,13)6-15(5-7)9(17)18/h7H,4-6H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyHVAHAZKYKZRSDF-UHFFFAOYSA-N
XLogP1.90
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
The IUPAC name of 3,3-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid (CID 67501031) is 3,3-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid.
What is the SMILES notation for 3,3-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
The canonical SMILES for 3,3-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid is CC(C)(C)OC(=O)NC1CN(C(=O)O)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
The InChIKey is HVAHAZKYKZRSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O4/c1-10(2,3)19-8(16)14-7-4-11(12,13)6-15(5-7)9(17)18/h7H,4-6H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 3,3-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
3,3-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid has a molecular weight of 280.27 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 67501031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).