methyl 2-(3-aminopiperidin-1-yl)acetate

C8H16N2O2 — CID 61295580

IUPACmethyl 2-(3-aminopiperidin-1-yl)acetate
SMILESCOC(=O)CN1CCCC(N)C1
InChIInChI=1S/C8H16N2O2/c1-12-8(11)6-10-4-2-3-7(9)5-10/h7H,2-6,9H2,1H3
InChIKeyIJVQPFMVKPOOGL-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.42
Rot. Bonds2

About methyl 2-(3-aminopiperidin-1-yl)acetate

methyl 2-(3-aminopiperidin-1-yl)acetate (PubChem CID 61295580) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is methyl 2-(3-aminopiperidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-aminopiperidin-1-yl)acetate
PubChem CID61295580
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namemethyl 2-(3-aminopiperidin-1-yl)acetate
SMILESCOC(=O)CN1CCCC(N)C1
InChIInChI=1S/C8H16N2O2/c1-12-8(11)6-10-4-2-3-7(9)5-10/h7H,2-6,9H2,1H3
InChIKeyIJVQPFMVKPOOGL-UHFFFAOYSA-N
XLogP-0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(3-aminopiperidin-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-aminopiperidin-1-yl)acetate?
The IUPAC name of methyl 2-(3-aminopiperidin-1-yl)acetate (CID 61295580) is methyl 2-(3-aminopiperidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-aminopiperidin-1-yl)acetate?
The canonical SMILES for methyl 2-(3-aminopiperidin-1-yl)acetate is COC(=O)CN1CCCC(N)C1.
What is the InChIKey of methyl 2-(3-aminopiperidin-1-yl)acetate?
The InChIKey is IJVQPFMVKPOOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-12-8(11)6-10-4-2-3-7(9)5-10/h7H,2-6,9H2,1H3.
What are the key properties of methyl 2-(3-aminopiperidin-1-yl)acetate?
methyl 2-(3-aminopiperidin-1-yl)acetate has a molecular weight of 172.23 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-aminopiperidin-1-yl)acetate is sourced from PubChem (CID 61295580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).