Methyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate

Name: Methyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₆N₂O₃ — CID 155973543

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate

SMILESCOC(=O)CN1CCCC(CN)C1=O

InChIInChI=1S/C9H16N2O3/c1-14-8(12)6-11-4-2-3-7(5-10)9(11)13/h7H,2-6,10H2,1H3

InChIKeyWCQWNPVUOWELSZ-UHFFFAOYSA-N

MW200.24 g/mol

LogP-0.64

Rot. Bonds3

About Methyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate

Methyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate (PubChem CID 155973543) has the molecular formula C₉H₁₆N₂O₃ and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate.

Molecular Properties

Compound Name	Methyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate
PubChem CID	155973543
Molecular Formula	C₉H₁₆N₂O₃
Molecular Weight	200.24 g/mol
Exact Mass	200.12
IUPAC Name	methyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate
SMILES	COC(=O)CN1CCCC(CN)C1=O
InChI	InChI=1S/C9H16N2O3/c1-14-8(12)6-11-4-2-3-7(5-10)9(11)13/h7H,2-6,10H2,1H3
InChIKey	WCQWNPVUOWELSZ-UHFFFAOYSA-N
XLogP	-0.64
TPSA	72.63 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	200.24
LogP ≤ 5	-0.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Methyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate?

The IUPAC name of Methyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate (CID 155973543) is methyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate.

What is the SMILES notation for Methyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate?

The canonical SMILES for Methyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate is COC(=O)CN1CCCC(CN)C1=O.

What is the InChIKey of Methyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate?

The InChIKey is WCQWNPVUOWELSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-14-8(12)6-11-4-2-3-7(5-10)9(11)13/h7H,2-6,10H2,1H3.

What are the key properties of Methyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate?

Methyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate has a molecular weight of 200.24 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate is sourced from PubChem (CID 155973543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155973543 — identifiers, structure, computed properties (public domain)

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