[(2-methylpropan-2-yl)oxycarbonylamino] piperidine-4-carboxylate

C11H20N2O4 — CID 140579399

IUPAC[(2-methylpropan-2-yl)oxycarbonylamino] piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)NOC(=O)C1CCNCC1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)16-10(15)13-17-9(14)8-4-6-12-7-5-8/h8,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyCFSRIYPOQYZHQQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.97
Rot. Bonds1

About [(2-methylpropan-2-yl)oxycarbonylamino] piperidine-4-carboxylate

[(2-methylpropan-2-yl)oxycarbonylamino] piperidine-4-carboxylate (PubChem CID 140579399) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is [(2-methylpropan-2-yl)oxycarbonylamino] piperidine-4-carboxylate.

Molecular Properties

Compound Name[(2-methylpropan-2-yl)oxycarbonylamino] piperidine-4-carboxylate
PubChem CID140579399
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name[(2-methylpropan-2-yl)oxycarbonylamino] piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)NOC(=O)C1CCNCC1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)16-10(15)13-17-9(14)8-4-6-12-7-5-8/h8,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyCFSRIYPOQYZHQQ-UHFFFAOYSA-N
XLogP0.97
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2-methylpropan-2-yl)oxycarbonylamino] piperidine-4-carboxylate?
The IUPAC name of [(2-methylpropan-2-yl)oxycarbonylamino] piperidine-4-carboxylate (CID 140579399) is [(2-methylpropan-2-yl)oxycarbonylamino] piperidine-4-carboxylate.
What is the SMILES notation for [(2-methylpropan-2-yl)oxycarbonylamino] piperidine-4-carboxylate?
The canonical SMILES for [(2-methylpropan-2-yl)oxycarbonylamino] piperidine-4-carboxylate is CC(C)(C)OC(=O)NOC(=O)C1CCNCC1.
What is the InChIKey of [(2-methylpropan-2-yl)oxycarbonylamino] piperidine-4-carboxylate?
The InChIKey is CFSRIYPOQYZHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)16-10(15)13-17-9(14)8-4-6-12-7-5-8/h8,12H,4-7H2,1-3H3,(H,13,15).
What are the key properties of [(2-methylpropan-2-yl)oxycarbonylamino] piperidine-4-carboxylate?
[(2-methylpropan-2-yl)oxycarbonylamino] piperidine-4-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methylpropan-2-yl)oxycarbonylamino] piperidine-4-carboxylate is sourced from PubChem (CID 140579399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).