5-(2-aminopropan-2-yl)-1H-imidazole-2-carboxylic acid

C7H11N3O2 — CID 115013543

IUPAC5-(2-aminopropan-2-yl)-1H-imidazole-2-carboxylic acid
SMILESCC(C)(N)c1cnc(C(=O)O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-7(2,8)4-3-9-5(10-4)6(11)12/h3H,8H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyWWILCPCQAVVDMZ-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.30
Rot. Bonds2

About 5-(2-aminopropan-2-yl)-1H-imidazole-2-carboxylic acid

5-(2-aminopropan-2-yl)-1H-imidazole-2-carboxylic acid (PubChem CID 115013543) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-1H-imidazole-2-carboxylic acid
PubChem CID115013543
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-(2-aminopropan-2-yl)-1H-imidazole-2-carboxylic acid
SMILESCC(C)(N)c1cnc(C(=O)O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-7(2,8)4-3-9-5(10-4)6(11)12/h3H,8H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyWWILCPCQAVVDMZ-UHFFFAOYSA-N
XLogP0.30
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-1H-imidazole-2-carboxylic acid?
The IUPAC name of 5-(2-aminopropan-2-yl)-1H-imidazole-2-carboxylic acid (CID 115013543) is 5-(2-aminopropan-2-yl)-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 5-(2-aminopropan-2-yl)-1H-imidazole-2-carboxylic acid is CC(C)(N)c1cnc(C(=O)O)[nH]1.
What is the InChIKey of 5-(2-aminopropan-2-yl)-1H-imidazole-2-carboxylic acid?
The InChIKey is WWILCPCQAVVDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-7(2,8)4-3-9-5(10-4)6(11)12/h3H,8H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 5-(2-aminopropan-2-yl)-1H-imidazole-2-carboxylic acid?
5-(2-aminopropan-2-yl)-1H-imidazole-2-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 115013543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).