2-amino-1H-imidazole-5-carboxylic acid

C4H5N3O2 — CID 541782

IUPAC2-amino-1H-imidazole-5-carboxylic acid
SMILESNc1ncc(C(=O)O)[nH]1
InChIInChI=1S/C4H5N3O2/c5-4-6-1-2(7-4)3(8)9/h1H,(H,8,9)(H3,5,6,7)
InChIKeyYTYZMZQDGZMTJM-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.31
Rot. Bonds1

About 2-amino-1H-imidazole-5-carboxylic acid

2-amino-1H-imidazole-5-carboxylic acid (PubChem CID 541782) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 2-amino-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-1H-imidazole-5-carboxylic acid
PubChem CID541782
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name2-amino-1H-imidazole-5-carboxylic acid
SMILESNc1ncc(C(=O)O)[nH]1
InChIInChI=1S/C4H5N3O2/c5-4-6-1-2(7-4)3(8)9/h1H,(H,8,9)(H3,5,6,7)
InChIKeyYTYZMZQDGZMTJM-UHFFFAOYSA-N
XLogP-0.31
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-amino-1H-imidazole-5-carboxylic acid (CID 541782) is 2-amino-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-amino-1H-imidazole-5-carboxylic acid is Nc1ncc(C(=O)O)[nH]1.
What is the InChIKey of 2-amino-1H-imidazole-5-carboxylic acid?
The InChIKey is YTYZMZQDGZMTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-4-6-1-2(7-4)3(8)9/h1H,(H,8,9)(H3,5,6,7).
What are the key properties of 2-amino-1H-imidazole-5-carboxylic acid?
2-amino-1H-imidazole-5-carboxylic acid has a molecular weight of 127.10 g/mol, XLogP of -0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 541782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).