4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

C11H19NO4 — CID 91089812

IUPAC4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)C1CCNC(C(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(15)7-4-5-12-8(6-7)9(13)14/h7-8,12H,4-6H2,1-3H3,(H,13,14)
InChIKeySOGIYLCAENACDQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.78
Rot. Bonds2

About 4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (PubChem CID 91089812) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
PubChem CID91089812
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)C1CCNC(C(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(15)7-4-5-12-8(6-7)9(13)14/h7-8,12H,4-6H2,1-3H3,(H,13,14)
InChIKeySOGIYLCAENACDQ-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (CID 91089812) is 4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is CC(C)(C)OC(=O)C1CCNC(C(=O)O)C1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The InChIKey is SOGIYLCAENACDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)7-4-5-12-8(6-7)9(13)14/h7-8,12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 91089812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).