methyl (2R)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidine-2-carboxylate

C13H23N3O4 — CID 34923470

IUPACmethyl (2R)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CC(=O)NC(=O)NC(C)C
InChIInChI=1S/C13H23N3O4/c1-9(2)14-13(19)15-11(17)8-16-7-5-4-6-10(16)12(18)20-3/h9-10H,4-8H2,1-3H3,(H2,14,15,17,19)/t10-/m1/s1
InChIKeyXWYDKFIMBJEKOW-SNVBAGLBSA-N
MW285.34 g/mol
LogP0.25
Rot. Bonds4

About methyl (2R)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidine-2-carboxylate

methyl (2R)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidine-2-carboxylate (PubChem CID 34923470) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl (2R)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidine-2-carboxylate
PubChem CID34923470
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Namemethyl (2R)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CC(=O)NC(=O)NC(C)C
InChIInChI=1S/C13H23N3O4/c1-9(2)14-13(19)15-11(17)8-16-7-5-4-6-10(16)12(18)20-3/h9-10H,4-8H2,1-3H3,(H2,14,15,17,19)/t10-/m1/s1
InChIKeyXWYDKFIMBJEKOW-SNVBAGLBSA-N
XLogP0.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidine-2-carboxylate (CID 34923470) is methyl (2R)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1CC(=O)NC(=O)NC(C)C.
What is the InChIKey of methyl (2R)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidine-2-carboxylate?
The InChIKey is XWYDKFIMBJEKOW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9(2)14-13(19)15-11(17)8-16-7-5-4-6-10(16)12(18)20-3/h9-10H,4-8H2,1-3H3,(H2,14,15,17,19)/t10-/m1/s1.
What are the key properties of methyl (2R)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidine-2-carboxylate?
methyl (2R)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidine-2-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidine-2-carboxylate is sourced from PubChem (CID 34923470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).