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

C9H16N2O3 — CID 155973543

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 Namemethyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate
PubChem CID155973543
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl 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
XLogP-0.64
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate 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 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).