methyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate

C8H13NO3 — CID 58332752

IUPACmethyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate
SMILESCOC(=O)C1CC[C@@H](C)NC1=O
InChIInChI=1S/C8H13NO3/c1-5-3-4-6(7(10)9-5)8(11)12-2/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6?/m1/s1
InChIKeyAUTKYARKJOXHJY-LWOQYNTDSA-N
MW171.20 g/mol
LogP0.07
Rot. Bonds1

About methyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate

methyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate (PubChem CID 58332752) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is methyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate
PubChem CID58332752
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namemethyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate
SMILESCOC(=O)C1CC[C@@H](C)NC1=O
InChIInChI=1S/C8H13NO3/c1-5-3-4-6(7(10)9-5)8(11)12-2/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6?/m1/s1
InChIKeyAUTKYARKJOXHJY-LWOQYNTDSA-N
XLogP0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate?
The IUPAC name of methyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate (CID 58332752) is methyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate.
What is the SMILES notation for methyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate?
The canonical SMILES for methyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate is COC(=O)C1CC[C@@H](C)NC1=O.
What is the InChIKey of methyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate?
The InChIKey is AUTKYARKJOXHJY-LWOQYNTDSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5-3-4-6(7(10)9-5)8(11)12-2/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6?/m1/s1.
What are the key properties of methyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate?
methyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate has a molecular weight of 171.20 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate is sourced from PubChem (CID 58332752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).