methyl 2-(6-oxopiperidin-2-yl)acetate

C8H13NO3 — CID 14587552

IUPACmethyl 2-(6-oxopiperidin-2-yl)acetate
SMILESCOC(=O)CC1CCCC(=O)N1
InChIInChI=1S/C8H13NO3/c1-12-8(11)5-6-3-2-4-7(10)9-6/h6H,2-5H2,1H3,(H,9,10)
InChIKeyAATRAVJBVRDXNI-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.22
Rot. Bonds2

About methyl 2-(6-oxopiperidin-2-yl)acetate

methyl 2-(6-oxopiperidin-2-yl)acetate (PubChem CID 14587552) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is methyl 2-(6-oxopiperidin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-oxopiperidin-2-yl)acetate
PubChem CID14587552
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namemethyl 2-(6-oxopiperidin-2-yl)acetate
SMILESCOC(=O)CC1CCCC(=O)N1
InChIInChI=1S/C8H13NO3/c1-12-8(11)5-6-3-2-4-7(10)9-6/h6H,2-5H2,1H3,(H,9,10)
InChIKeyAATRAVJBVRDXNI-UHFFFAOYSA-N
XLogP0.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-oxopiperidin-2-yl)acetate?
The IUPAC name of methyl 2-(6-oxopiperidin-2-yl)acetate (CID 14587552) is methyl 2-(6-oxopiperidin-2-yl)acetate.
What is the SMILES notation for methyl 2-(6-oxopiperidin-2-yl)acetate?
The canonical SMILES for methyl 2-(6-oxopiperidin-2-yl)acetate is COC(=O)CC1CCCC(=O)N1.
What is the InChIKey of methyl 2-(6-oxopiperidin-2-yl)acetate?
The InChIKey is AATRAVJBVRDXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-12-8(11)5-6-3-2-4-7(10)9-6/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of methyl 2-(6-oxopiperidin-2-yl)acetate?
methyl 2-(6-oxopiperidin-2-yl)acetate has a molecular weight of 171.20 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-oxopiperidin-2-yl)acetate is sourced from PubChem (CID 14587552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).