2-(2-aminoimidazol-1-yl)acetic acid

C5H7N3O2 — CID 10219481

IUPAC2-(2-aminoimidazol-1-yl)acetic acid
SMILESNc1nccn1CC(=O)O
InChIInChI=1S/C5H7N3O2/c6-5-7-1-2-8(5)3-4(9)10/h1-2H,3H2,(H2,6,7)(H,9,10)
InChIKeyWGGBVDLXZWTJQL-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.45
Rot. Bonds2

About 2-(2-aminoimidazol-1-yl)acetic acid

2-(2-aminoimidazol-1-yl)acetic acid (PubChem CID 10219481) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-(2-aminoimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-aminoimidazol-1-yl)acetic acid
PubChem CID10219481
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name2-(2-aminoimidazol-1-yl)acetic acid
SMILESNc1nccn1CC(=O)O
InChIInChI=1S/C5H7N3O2/c6-5-7-1-2-8(5)3-4(9)10/h1-2H,3H2,(H2,6,7)(H,9,10)
InChIKeyWGGBVDLXZWTJQL-UHFFFAOYSA-N
XLogP-0.45
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-aminoimidazol-1-yl)acetic acid (CID 10219481) is 2-(2-aminoimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-aminoimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-aminoimidazol-1-yl)acetic acid is Nc1nccn1CC(=O)O.
What is the InChIKey of 2-(2-aminoimidazol-1-yl)acetic acid?
The InChIKey is WGGBVDLXZWTJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c6-5-7-1-2-8(5)3-4(9)10/h1-2H,3H2,(H2,6,7)(H,9,10).
What are the key properties of 2-(2-aminoimidazol-1-yl)acetic acid?
2-(2-aminoimidazol-1-yl)acetic acid has a molecular weight of 141.13 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoimidazol-1-yl)acetic acid is sourced from PubChem (CID 10219481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).