5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid

C11H19FN2O4 — CID 135331197

IUPAC5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCC(F)CN1C(=O)O
InChIInChI=1S/C11H19FN2O4/c1-11(2,3)18-9(15)13-8-5-4-7(12)6-14(8)10(16)17/h7-8H,4-6H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyZITGQAIUIYUHHZ-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.95
Rot. Bonds1

About 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid

5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid (PubChem CID 135331197) has the molecular formula C11H19FN2O4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
PubChem CID135331197
Molecular FormulaC11H19FN2O4
Molecular Weight262.28 g/mol
Exact Mass262.13
IUPAC Name5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCC(F)CN1C(=O)O
InChIInChI=1S/C11H19FN2O4/c1-11(2,3)18-9(15)13-8-5-4-7(12)6-14(8)10(16)17/h7-8H,4-6H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyZITGQAIUIYUHHZ-UHFFFAOYSA-N
XLogP1.95
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 135393430
tert-butyl (2R,5R)-5-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate
CID 134827916
(3R,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylic acid
CID 68804723
tert-butyl N-[[5-fluoro-1-(2,2,2-trifluoroacetyl)piperidin-2-yl]methyl]carbamate
CID 139448394
(2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1,2-dicarboxylic acid
CID 139415640
3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1,2-dicarboxylic acid
CID 91057509
tert-butyl N-[(2R)-1-(3-fluoropyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 71279861
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(2S,5R)-5-fluoro-2-(hydroxymethyl)cyclohexyl]carbamate
CID 170214563
(3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 91362762
tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate
CID 118296593

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
The IUPAC name of 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid (CID 135331197) is 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid is CC(C)(C)OC(=O)NC1CCC(F)CN1C(=O)O.
What is the InChIKey of 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
The InChIKey is ZITGQAIUIYUHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O4/c1-11(2,3)18-9(15)13-8-5-4-7(12)6-14(8)10(16)17/h7-8H,4-6H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid has a molecular weight of 262.28 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 135331197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).