2-[2,6-bis(aminomethyl)piperidin-2-yl]acetic acid

C9H19N3O2 — CID 68575365

IUPAC2-[2,6-bis(aminomethyl)piperidin-2-yl]acetic acid
SMILESNCC1CCCC(CN)(CC(=O)O)N1
InChIInChI=1S/C9H19N3O2/c10-5-7-2-1-3-9(6-11,12-7)4-8(13)14/h7,12H,1-6,10-11H2,(H,13,14)
InChIKeyKITJYNAIDJPNRS-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.74
Rot. Bonds4

About 2-[2,6-bis(aminomethyl)piperidin-2-yl]acetic acid

2-[2,6-bis(aminomethyl)piperidin-2-yl]acetic acid (PubChem CID 68575365) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[2,6-bis(aminomethyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2,6-bis(aminomethyl)piperidin-2-yl]acetic acid
PubChem CID68575365
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-[2,6-bis(aminomethyl)piperidin-2-yl]acetic acid
SMILESNCC1CCCC(CN)(CC(=O)O)N1
InChIInChI=1S/C9H19N3O2/c10-5-7-2-1-3-9(6-11,12-7)4-8(13)14/h7,12H,1-6,10-11H2,(H,13,14)
InChIKeyKITJYNAIDJPNRS-UHFFFAOYSA-N
XLogP-0.74
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[2,6-bis(aminomethyl)piperidin-2-yl]acetic acid 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 2-[2,6-bis(aminomethyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[2,6-bis(aminomethyl)piperidin-2-yl]acetic acid (CID 68575365) is 2-[2,6-bis(aminomethyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[2,6-bis(aminomethyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[2,6-bis(aminomethyl)piperidin-2-yl]acetic acid is NCC1CCCC(CN)(CC(=O)O)N1.
What is the InChIKey of 2-[2,6-bis(aminomethyl)piperidin-2-yl]acetic acid?
The InChIKey is KITJYNAIDJPNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-5-7-2-1-3-9(6-11,12-7)4-8(13)14/h7,12H,1-6,10-11H2,(H,13,14).
What are the key properties of 2-[2,6-bis(aminomethyl)piperidin-2-yl]acetic acid?
2-[2,6-bis(aminomethyl)piperidin-2-yl]acetic acid has a molecular weight of 201.27 g/mol, XLogP of -0.74, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(aminomethyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 68575365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).