2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylic acid

C8H11N3O2 — CID 39870347

IUPAC2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylic acid
SMILESNC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C8H11N3O2/c9-8(2-1-3-8)7-10-4-5(11-7)6(12)13/h4H,1-3,9H2,(H,10,11)(H,12,13)
InChIKeyNBNOGOBDFVJJDQ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.45
Rot. Bonds2

About 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylic acid

2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylic acid (PubChem CID 39870347) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylic acid
PubChem CID39870347
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylic acid
SMILESNC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C8H11N3O2/c9-8(2-1-3-8)7-10-4-5(11-7)6(12)13/h4H,1-3,9H2,(H,10,11)(H,12,13)
InChIKeyNBNOGOBDFVJJDQ-UHFFFAOYSA-N
XLogP0.45
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylic acid (CID 39870347) is 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylic acid is NC1(c2ncc(C(=O)O)[nH]2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is NBNOGOBDFVJJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-8(2-1-3-8)7-10-4-5(11-7)6(12)13/h4H,1-3,9H2,(H,10,11)(H,12,13).
What are the key properties of 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylic acid?
2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 39870347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).