2-aminoacetic acid;2-prop-2-enyl-1H-imidazole

C8H13N3O2 — CID 174908896

IUPAC2-aminoacetic acid;2-prop-2-enyl-1H-imidazole
SMILESC=CCc1ncc[nH]1.NCC(=O)O
InChIInChI=1S/C6H8N2.C2H5NO2/c1-2-3-6-7-4-5-8-6;3-1-2(4)5/h2,4-5H,1,3H2,(H,7,8);1,3H2,(H,4,5)
InChIKeyWWLVDFKVOMLODG-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.17
Rot. Bonds3

About 2-aminoacetic acid;2-prop-2-enyl-1H-imidazole

2-aminoacetic acid;2-prop-2-enyl-1H-imidazole (PubChem CID 174908896) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-aminoacetic acid;2-prop-2-enyl-1H-imidazole.

Molecular Properties

Compound Name2-aminoacetic acid;2-prop-2-enyl-1H-imidazole
PubChem CID174908896
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-aminoacetic acid;2-prop-2-enyl-1H-imidazole
SMILESC=CCc1ncc[nH]1.NCC(=O)O
InChIInChI=1S/C6H8N2.C2H5NO2/c1-2-3-6-7-4-5-8-6;3-1-2(4)5/h2,4-5H,1,3H2,(H,7,8);1,3H2,(H,4,5)
InChIKeyWWLVDFKVOMLODG-UHFFFAOYSA-N
XLogP0.17
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-prop-2-enyl-1H-imidazole?
The IUPAC name of 2-aminoacetic acid;2-prop-2-enyl-1H-imidazole (CID 174908896) is 2-aminoacetic acid;2-prop-2-enyl-1H-imidazole.
What is the SMILES notation for 2-aminoacetic acid;2-prop-2-enyl-1H-imidazole?
The canonical SMILES for 2-aminoacetic acid;2-prop-2-enyl-1H-imidazole is C=CCc1ncc[nH]1.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;2-prop-2-enyl-1H-imidazole?
The InChIKey is WWLVDFKVOMLODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C2H5NO2/c1-2-3-6-7-4-5-8-6;3-1-2(4)5/h2,4-5H,1,3H2,(H,7,8);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-prop-2-enyl-1H-imidazole?
2-aminoacetic acid;2-prop-2-enyl-1H-imidazole has a molecular weight of 183.21 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-prop-2-enyl-1H-imidazole is sourced from PubChem (CID 174908896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).