2-[[2-(2-azaspiro[3.6]decan-2-yl)acetyl]amino]acetic acid

C13H22N2O3 — CID 79694616

IUPAC2-[[2-(2-azaspiro[3.6]decan-2-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CN1CC2(CCCCCC2)C1
InChIInChI=1S/C13H22N2O3/c16-11(14-7-12(17)18)8-15-9-13(10-15)5-3-1-2-4-6-13/h1-10H2,(H,14,16)(H,17,18)
InChIKeyMCCIXLDAGDXESL-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds4

About 2-[[2-(2-azaspiro[3.6]decan-2-yl)acetyl]amino]acetic acid

2-[[2-(2-azaspiro[3.6]decan-2-yl)acetyl]amino]acetic acid (PubChem CID 79694616) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[[2-(2-azaspiro[3.6]decan-2-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-azaspiro[3.6]decan-2-yl)acetyl]amino]acetic acid
PubChem CID79694616
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[[2-(2-azaspiro[3.6]decan-2-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CN1CC2(CCCCCC2)C1
InChIInChI=1S/C13H22N2O3/c16-11(14-7-12(17)18)8-15-9-13(10-15)5-3-1-2-4-6-13/h1-10H2,(H,14,16)(H,17,18)
InChIKeyMCCIXLDAGDXESL-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2-azaspiro[3.6]decan-2-yl)acetyl]amino]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-(2-azaspiro[3.6]decan-2-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2-azaspiro[3.6]decan-2-yl)acetyl]amino]acetic acid (CID 79694616) is 2-[[2-(2-azaspiro[3.6]decan-2-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-azaspiro[3.6]decan-2-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2-azaspiro[3.6]decan-2-yl)acetyl]amino]acetic acid is O=C(O)CNC(=O)CN1CC2(CCCCCC2)C1.
What is the InChIKey of 2-[[2-(2-azaspiro[3.6]decan-2-yl)acetyl]amino]acetic acid?
The InChIKey is MCCIXLDAGDXESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-11(14-7-12(17)18)8-15-9-13(10-15)5-3-1-2-4-6-13/h1-10H2,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-(2-azaspiro[3.6]decan-2-yl)acetyl]amino]acetic acid?
2-[[2-(2-azaspiro[3.6]decan-2-yl)acetyl]amino]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-azaspiro[3.6]decan-2-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 79694616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).