2-aminoacetic acid;cyclohexa-1,4-diene

C8H13NO2 — CID 174749922

IUPAC2-aminoacetic acid;cyclohexa-1,4-diene
SMILESC1=CCC=CC1.NCC(=O)O
InChIInChI=1S/C6H8.C2H5NO2/c1-2-4-6-5-3-1;3-1-2(4)5/h1-2,5-6H,3-4H2;1,3H2,(H,4,5)
InChIKeyLVGPGBXMXJIMRG-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.92
Rot. Bonds1

About 2-aminoacetic acid;cyclohexa-1,4-diene

2-aminoacetic acid;cyclohexa-1,4-diene (PubChem CID 174749922) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-aminoacetic acid;cyclohexa-1,4-diene.

Molecular Properties

Compound Name2-aminoacetic acid;cyclohexa-1,4-diene
PubChem CID174749922
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-aminoacetic acid;cyclohexa-1,4-diene
SMILESC1=CCC=CC1.NCC(=O)O
InChIInChI=1S/C6H8.C2H5NO2/c1-2-4-6-5-3-1;3-1-2(4)5/h1-2,5-6H,3-4H2;1,3H2,(H,4,5)
InChIKeyLVGPGBXMXJIMRG-UHFFFAOYSA-N
XLogP0.92
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-aminoacetic acid;cyclohexa-1,4-diene 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-aminoacetic acid;cyclohexa-1,4-diene?
The IUPAC name of 2-aminoacetic acid;cyclohexa-1,4-diene (CID 174749922) is 2-aminoacetic acid;cyclohexa-1,4-diene.
What is the SMILES notation for 2-aminoacetic acid;cyclohexa-1,4-diene?
The canonical SMILES for 2-aminoacetic acid;cyclohexa-1,4-diene is C1=CCC=CC1.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;cyclohexa-1,4-diene?
The InChIKey is LVGPGBXMXJIMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8.C2H5NO2/c1-2-4-6-5-3-1;3-1-2(4)5/h1-2,5-6H,3-4H2;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;cyclohexa-1,4-diene?
2-aminoacetic acid;cyclohexa-1,4-diene has a molecular weight of 155.20 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;cyclohexa-1,4-diene is sourced from PubChem (CID 174749922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).