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

C11H17F2NO4 — CID 86328943

IUPAC(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@H](C(=O)O)CC(F)(F)C1
InChIInChI=1S/C11H17F2NO4/c1-10(2,3)18-9(17)14-5-7(8(15)16)4-11(12,13)6-14/h7H,4-6H2,1-3H3,(H,15,16)/t7-/m1/s1
InChIKeyMSNKMLCRSUWLHZ-SSDOTTSWSA-N
MW265.26 g/mol
LogP1.96
Rot. Bonds1

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

(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid (PubChem CID 86328943) has the molecular formula C11H17F2NO4 and a molecular weight of 265.26 g/mol. Its IUPAC name is (3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
PubChem CID86328943
Molecular FormulaC11H17F2NO4
Molecular Weight265.26 g/mol
Exact Mass265.11
IUPAC Name(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@H](C(=O)O)CC(F)(F)C1
InChIInChI=1S/C11H17F2NO4/c1-10(2,3)18-9(17)14-5-7(8(15)16)4-11(12,13)6-14/h7H,4-6H2,1-3H3,(H,15,16)/t7-/m1/s1
InChIKeyMSNKMLCRSUWLHZ-SSDOTTSWSA-N
XLogP1.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid (CID 86328943) is (3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid is CC(C)(C)OC(=O)N1C[C@H](C(=O)O)CC(F)(F)C1.
What is the InChIKey of (3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The InChIKey is MSNKMLCRSUWLHZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17F2NO4/c1-10(2,3)18-9(17)14-5-7(8(15)16)4-11(12,13)6-14/h7H,4-6H2,1-3H3,(H,15,16)/t7-/m1/s1.
What are the key properties of (3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 86328943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).