2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid;2-imino-1-methylimidazolidin-4-one

C9H16N6O3 — CID 173338196

IUPAC2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid;2-imino-1-methylimidazolidin-4-one
SMILESNC1=NCCN1CC(=O)O.[H]/N=C1/NC(=O)CN1C
InChIInChI=1S/C5H9N3O2.C4H7N3O/c6-5-7-1-2-8(5)3-4(9)10;1-7-2-3(8)6-4(7)5/h1-3H2,(H2,6,7)(H,9,10);2H2,1H3,(H2,5,6,8)
InChIKeyISYGJFDYBIIXOC-UHFFFAOYSA-N
MW256.27 g/mol
LogP-2.32
Rot. Bonds2

About 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid;2-imino-1-methylimidazolidin-4-one

2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid;2-imino-1-methylimidazolidin-4-one (PubChem CID 173338196) has the molecular formula C9H16N6O3 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid;2-imino-1-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid;2-imino-1-methylimidazolidin-4-one
PubChem CID173338196
Molecular FormulaC9H16N6O3
Molecular Weight256.27 g/mol
Exact Mass256.13
IUPAC Name2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid;2-imino-1-methylimidazolidin-4-one
SMILESNC1=NCCN1CC(=O)O.[H]/N=C1/NC(=O)CN1C
InChIInChI=1S/C5H9N3O2.C4H7N3O/c6-5-7-1-2-8(5)3-4(9)10;1-7-2-3(8)6-4(7)5/h1-3H2,(H2,6,7)(H,9,10);2H2,1H3,(H2,5,6,8)
InChIKeyISYGJFDYBIIXOC-UHFFFAOYSA-N
XLogP-2.32
TPSA135.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 5-2.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid;2-imino-1-methylimidazolidin-4-one?
The IUPAC name of 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid;2-imino-1-methylimidazolidin-4-one (CID 173338196) is 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid;2-imino-1-methylimidazolidin-4-one.
What is the SMILES notation for 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid;2-imino-1-methylimidazolidin-4-one?
The canonical SMILES for 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid;2-imino-1-methylimidazolidin-4-one is NC1=NCCN1CC(=O)O.[H]/N=C1/NC(=O)CN1C.
What is the InChIKey of 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid;2-imino-1-methylimidazolidin-4-one?
The InChIKey is ISYGJFDYBIIXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2.C4H7N3O/c6-5-7-1-2-8(5)3-4(9)10;1-7-2-3(8)6-4(7)5/h1-3H2,(H2,6,7)(H,9,10);2H2,1H3,(H2,5,6,8).
What are the key properties of 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid;2-imino-1-methylimidazolidin-4-one?
2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid;2-imino-1-methylimidazolidin-4-one has a molecular weight of 256.27 g/mol, XLogP of -2.32, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid;2-imino-1-methylimidazolidin-4-one is sourced from PubChem (CID 173338196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).