2-aminoacetic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine

C6H14N4O2 — CID 145152396

IUPAC2-aminoacetic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(N)N1.NCC(=O)O
InChIInChI=1S/C4H9N3.C2H5NO2/c1-3-2-6-4(5)7-3;3-1-2(4)5/h3H,2H2,1H3,(H3,5,6,7);1,3H2,(H,4,5)
InChIKeyXONUHAXIZQFJAQ-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.68
Rot. Bonds1

About 2-aminoacetic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine

2-aminoacetic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 145152396) has the molecular formula C6H14N4O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-aminoacetic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name2-aminoacetic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID145152396
Molecular FormulaC6H14N4O2
Molecular Weight174.20 g/mol
Exact Mass174.11
IUPAC Name2-aminoacetic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(N)N1.NCC(=O)O
InChIInChI=1S/C4H9N3.C2H5NO2/c1-3-2-6-4(5)7-3;3-1-2(4)5/h3H,2H2,1H3,(H3,5,6,7);1,3H2,(H,4,5)
InChIKeyXONUHAXIZQFJAQ-UHFFFAOYSA-N
XLogP-1.68
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 2-aminoacetic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine (CID 145152396) is 2-aminoacetic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 2-aminoacetic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 2-aminoacetic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine is CC1CN=C(N)N1.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is XONUHAXIZQFJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3.C2H5NO2/c1-3-2-6-4(5)7-3;3-1-2(4)5/h3H,2H2,1H3,(H3,5,6,7);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine?
2-aminoacetic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 174.20 g/mol, XLogP of -1.68, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 145152396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).