methyl (2R)-2-ethyl-4-oxopiperidine-1-carboxylate

C9H15NO3 — CID 131585229

IUPACmethyl (2R)-2-ethyl-4-oxopiperidine-1-carboxylate
SMILESCC[C@@H]1CC(=O)CCN1C(=O)OC
InChIInChI=1S/C9H15NO3/c1-3-7-6-8(11)4-5-10(7)9(12)13-2/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeySLCQOTKVSKUZIF-SSDOTTSWSA-N
MW185.22 g/mol
LogP1.20
Rot. Bonds1

About methyl (2R)-2-ethyl-4-oxopiperidine-1-carboxylate

methyl (2R)-2-ethyl-4-oxopiperidine-1-carboxylate (PubChem CID 131585229) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl (2R)-2-ethyl-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-ethyl-4-oxopiperidine-1-carboxylate
PubChem CID131585229
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl (2R)-2-ethyl-4-oxopiperidine-1-carboxylate
SMILESCC[C@@H]1CC(=O)CCN1C(=O)OC
InChIInChI=1S/C9H15NO3/c1-3-7-6-8(11)4-5-10(7)9(12)13-2/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeySLCQOTKVSKUZIF-SSDOTTSWSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-2-ethyl-4-oxopiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-ethyl-4-oxopiperidine-1-carboxylate?
The IUPAC name of methyl (2R)-2-ethyl-4-oxopiperidine-1-carboxylate (CID 131585229) is methyl (2R)-2-ethyl-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-ethyl-4-oxopiperidine-1-carboxylate?
The canonical SMILES for methyl (2R)-2-ethyl-4-oxopiperidine-1-carboxylate is CC[C@@H]1CC(=O)CCN1C(=O)OC.
What is the InChIKey of methyl (2R)-2-ethyl-4-oxopiperidine-1-carboxylate?
The InChIKey is SLCQOTKVSKUZIF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-7-6-8(11)4-5-10(7)9(12)13-2/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-ethyl-4-oxopiperidine-1-carboxylate?
methyl (2R)-2-ethyl-4-oxopiperidine-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-ethyl-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 131585229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).