methyl (2R)-1-[2-(methylcarbamoylamino)-2-oxoethyl]piperidine-2-carboxylate

C11H19N3O4 — CID 34923592

IUPACmethyl (2R)-1-[2-(methylcarbamoylamino)-2-oxoethyl]piperidine-2-carboxylate
SMILESCNC(=O)NC(=O)CN1CCCC[C@@H]1C(=O)OC
InChIInChI=1S/C11H19N3O4/c1-12-11(17)13-9(15)7-14-6-4-3-5-8(14)10(16)18-2/h8H,3-7H2,1-2H3,(H2,12,13,15,17)/t8-/m1/s1
InChIKeyKBAZJKZBAJJNEC-MRVPVSSYSA-N
MW257.29 g/mol
LogP-0.53
Rot. Bonds3

About methyl (2R)-1-[2-(methylcarbamoylamino)-2-oxoethyl]piperidine-2-carboxylate

methyl (2R)-1-[2-(methylcarbamoylamino)-2-oxoethyl]piperidine-2-carboxylate (PubChem CID 34923592) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl (2R)-1-[2-(methylcarbamoylamino)-2-oxoethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-(methylcarbamoylamino)-2-oxoethyl]piperidine-2-carboxylate
PubChem CID34923592
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Namemethyl (2R)-1-[2-(methylcarbamoylamino)-2-oxoethyl]piperidine-2-carboxylate
SMILESCNC(=O)NC(=O)CN1CCCC[C@@H]1C(=O)OC
InChIInChI=1S/C11H19N3O4/c1-12-11(17)13-9(15)7-14-6-4-3-5-8(14)10(16)18-2/h8H,3-7H2,1-2H3,(H2,12,13,15,17)/t8-/m1/s1
InChIKeyKBAZJKZBAJJNEC-MRVPVSSYSA-N
XLogP-0.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.53
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-(methylcarbamoylamino)-2-oxoethyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-(methylcarbamoylamino)-2-oxoethyl]piperidine-2-carboxylate (CID 34923592) is methyl (2R)-1-[2-(methylcarbamoylamino)-2-oxoethyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-(methylcarbamoylamino)-2-oxoethyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-(methylcarbamoylamino)-2-oxoethyl]piperidine-2-carboxylate is CNC(=O)NC(=O)CN1CCCC[C@@H]1C(=O)OC.
What is the InChIKey of methyl (2R)-1-[2-(methylcarbamoylamino)-2-oxoethyl]piperidine-2-carboxylate?
The InChIKey is KBAZJKZBAJJNEC-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-12-11(17)13-9(15)7-14-6-4-3-5-8(14)10(16)18-2/h8H,3-7H2,1-2H3,(H2,12,13,15,17)/t8-/m1/s1.
What are the key properties of methyl (2R)-1-[2-(methylcarbamoylamino)-2-oxoethyl]piperidine-2-carboxylate?
methyl (2R)-1-[2-(methylcarbamoylamino)-2-oxoethyl]piperidine-2-carboxylate has a molecular weight of 257.29 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[2-(methylcarbamoylamino)-2-oxoethyl]piperidine-2-carboxylate is sourced from PubChem (CID 34923592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).