3-amino-2-(oxolan-3-yl)imidazole-4-carboxylic acid

C8H11N3O3 — CID 118955919

IUPAC3-amino-2-(oxolan-3-yl)imidazole-4-carboxylic acid
SMILESNn1c(C(=O)O)cnc1C1CCOC1
InChIInChI=1S/C8H11N3O3/c9-11-6(8(12)13)3-10-7(11)5-1-2-14-4-5/h3,5H,1-2,4,9H2,(H,12,13)
InChIKeyOAMQISBNLAEKSM-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.20
Rot. Bonds2

About 3-amino-2-(oxolan-3-yl)imidazole-4-carboxylic acid

3-amino-2-(oxolan-3-yl)imidazole-4-carboxylic acid (PubChem CID 118955919) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-amino-2-(oxolan-3-yl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-(oxolan-3-yl)imidazole-4-carboxylic acid
PubChem CID118955919
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-amino-2-(oxolan-3-yl)imidazole-4-carboxylic acid
SMILESNn1c(C(=O)O)cnc1C1CCOC1
InChIInChI=1S/C8H11N3O3/c9-11-6(8(12)13)3-10-7(11)5-1-2-14-4-5/h3,5H,1-2,4,9H2,(H,12,13)
InChIKeyOAMQISBNLAEKSM-UHFFFAOYSA-N
XLogP-0.20
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(oxolan-3-yl)imidazole-4-carboxylic acid?
The IUPAC name of 3-amino-2-(oxolan-3-yl)imidazole-4-carboxylic acid (CID 118955919) is 3-amino-2-(oxolan-3-yl)imidazole-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-(oxolan-3-yl)imidazole-4-carboxylic acid?
The canonical SMILES for 3-amino-2-(oxolan-3-yl)imidazole-4-carboxylic acid is Nn1c(C(=O)O)cnc1C1CCOC1.
What is the InChIKey of 3-amino-2-(oxolan-3-yl)imidazole-4-carboxylic acid?
The InChIKey is OAMQISBNLAEKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c9-11-6(8(12)13)3-10-7(11)5-1-2-14-4-5/h3,5H,1-2,4,9H2,(H,12,13).
What are the key properties of 3-amino-2-(oxolan-3-yl)imidazole-4-carboxylic acid?
3-amino-2-(oxolan-3-yl)imidazole-4-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(oxolan-3-yl)imidazole-4-carboxylic acid is sourced from PubChem (CID 118955919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).