ethyl 1-[2-(methylamino)acetyl]piperidine-3-carboxylate

C11H20N2O3 — CID 47003233

IUPACethyl 1-[2-(methylamino)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CNC)C1
InChIInChI=1S/C11H20N2O3/c1-3-16-11(15)9-5-4-6-13(8-9)10(14)7-12-2/h9,12H,3-8H2,1-2H3
InChIKeyBUGPWUMFGURMOU-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.01
Rot. Bonds4

About ethyl 1-[2-(methylamino)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(methylamino)acetyl]piperidine-3-carboxylate (PubChem CID 47003233) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 1-[2-(methylamino)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(methylamino)acetyl]piperidine-3-carboxylate
PubChem CID47003233
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethyl 1-[2-(methylamino)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CNC)C1
InChIInChI=1S/C11H20N2O3/c1-3-16-11(15)9-5-4-6-13(8-9)10(14)7-12-2/h9,12H,3-8H2,1-2H3
InChIKeyBUGPWUMFGURMOU-UHFFFAOYSA-N
XLogP0.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(methylamino)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(methylamino)acetyl]piperidine-3-carboxylate (CID 47003233) is ethyl 1-[2-(methylamino)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(methylamino)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(methylamino)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CNC)C1.
What is the InChIKey of ethyl 1-[2-(methylamino)acetyl]piperidine-3-carboxylate?
The InChIKey is BUGPWUMFGURMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-16-11(15)9-5-4-6-13(8-9)10(14)7-12-2/h9,12H,3-8H2,1-2H3.
What are the key properties of ethyl 1-[2-(methylamino)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(methylamino)acetyl]piperidine-3-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(methylamino)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 47003233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).