5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid

C11H17N3O2 — CID 117193191

IUPAC5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid
SMILESCC(C)n1c(CNC2CC2)cnc1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-7(2)14-9(5-12-8-3-4-8)6-13-10(14)11(15)16/h6-8,12H,3-5H2,1-2H3,(H,15,16)
InChIKeyVAPJLGIPXDPCQD-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.41
Rot. Bonds5

About 5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid

5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid (PubChem CID 117193191) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid
PubChem CID117193191
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid
SMILESCC(C)n1c(CNC2CC2)cnc1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-7(2)14-9(5-12-8-3-4-8)6-13-10(14)11(15)16/h6-8,12H,3-5H2,1-2H3,(H,15,16)
InChIKeyVAPJLGIPXDPCQD-UHFFFAOYSA-N
XLogP1.41
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid?
The IUPAC name of 5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid (CID 117193191) is 5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid is CC(C)n1c(CNC2CC2)cnc1C(=O)O.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid?
The InChIKey is VAPJLGIPXDPCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)14-9(5-12-8-3-4-8)6-13-10(14)11(15)16/h6-8,12H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid?
5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid is sourced from PubChem (CID 117193191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).