2-(cyclopropylamino)-3-propan-2-ylimidazole-4-carboxylic acid

C10H15N3O2 — CID 117190547

IUPAC2-(cyclopropylamino)-3-propan-2-ylimidazole-4-carboxylic acid
SMILESCC(C)n1c(C(=O)O)cnc1NC1CC1
InChIInChI=1S/C10H15N3O2/c1-6(2)13-8(9(14)15)5-11-10(13)12-7-3-4-7/h5-7H,3-4H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyCYABHDKDDCKLTE-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.74
Rot. Bonds4

About 2-(cyclopropylamino)-3-propan-2-ylimidazole-4-carboxylic acid

2-(cyclopropylamino)-3-propan-2-ylimidazole-4-carboxylic acid (PubChem CID 117190547) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-propan-2-ylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-propan-2-ylimidazole-4-carboxylic acid
PubChem CID117190547
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-(cyclopropylamino)-3-propan-2-ylimidazole-4-carboxylic acid
SMILESCC(C)n1c(C(=O)O)cnc1NC1CC1
InChIInChI=1S/C10H15N3O2/c1-6(2)13-8(9(14)15)5-11-10(13)12-7-3-4-7/h5-7H,3-4H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyCYABHDKDDCKLTE-UHFFFAOYSA-N
XLogP1.74
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-propan-2-ylimidazole-4-carboxylic acid?
The IUPAC name of 2-(cyclopropylamino)-3-propan-2-ylimidazole-4-carboxylic acid (CID 117190547) is 2-(cyclopropylamino)-3-propan-2-ylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylamino)-3-propan-2-ylimidazole-4-carboxylic acid?
The canonical SMILES for 2-(cyclopropylamino)-3-propan-2-ylimidazole-4-carboxylic acid is CC(C)n1c(C(=O)O)cnc1NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-propan-2-ylimidazole-4-carboxylic acid?
The InChIKey is CYABHDKDDCKLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6(2)13-8(9(14)15)5-11-10(13)12-7-3-4-7/h5-7H,3-4H2,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 2-(cyclopropylamino)-3-propan-2-ylimidazole-4-carboxylic acid?
2-(cyclopropylamino)-3-propan-2-ylimidazole-4-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-propan-2-ylimidazole-4-carboxylic acid is sourced from PubChem (CID 117190547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).