2-amino-4,5-dihydroimidazole-1-carboxylic acid

C4H7N3O2 — CID 68725724

IUPAC2-amino-4,5-dihydroimidazole-1-carboxylic acid
SMILESNC1=NCCN1C(=O)O
InChIInChI=1S/C4H7N3O2/c5-3-6-1-2-7(3)4(8)9/h1-2H2,(H2,5,6)(H,8,9)
InChIKeyIOTWODZNCCCZHL-UHFFFAOYSA-N
MW129.12 g/mol
LogP-0.71
Rot. Bonds

About 2-amino-4,5-dihydroimidazole-1-carboxylic acid

2-amino-4,5-dihydroimidazole-1-carboxylic acid (PubChem CID 68725724) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 2-amino-4,5-dihydroimidazole-1-carboxylic acid.

Molecular Properties

Compound Name2-amino-4,5-dihydroimidazole-1-carboxylic acid
PubChem CID68725724
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name2-amino-4,5-dihydroimidazole-1-carboxylic acid
SMILESNC1=NCCN1C(=O)O
InChIInChI=1S/C4H7N3O2/c5-3-6-1-2-7(3)4(8)9/h1-2H2,(H2,5,6)(H,8,9)
InChIKeyIOTWODZNCCCZHL-UHFFFAOYSA-N
XLogP-0.71
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dihydroimidazole-1-carboxylic acid?
The IUPAC name of 2-amino-4,5-dihydroimidazole-1-carboxylic acid (CID 68725724) is 2-amino-4,5-dihydroimidazole-1-carboxylic acid.
What is the SMILES notation for 2-amino-4,5-dihydroimidazole-1-carboxylic acid?
The canonical SMILES for 2-amino-4,5-dihydroimidazole-1-carboxylic acid is NC1=NCCN1C(=O)O.
What is the InChIKey of 2-amino-4,5-dihydroimidazole-1-carboxylic acid?
The InChIKey is IOTWODZNCCCZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c5-3-6-1-2-7(3)4(8)9/h1-2H2,(H2,5,6)(H,8,9).
What are the key properties of 2-amino-4,5-dihydroimidazole-1-carboxylic acid?
2-amino-4,5-dihydroimidazole-1-carboxylic acid has a molecular weight of 129.12 g/mol, XLogP of -0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dihydroimidazole-1-carboxylic acid is sourced from PubChem (CID 68725724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).