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

C9H13N3O2 — CID 117192841

IUPAC5-[(cyclopropylamino)methyl]-1-methylimidazole-2-carboxylic acid
SMILESCn1c(CNC2CC2)cnc1C(=O)O
InChIInChI=1S/C9H13N3O2/c1-12-7(4-10-6-2-3-6)5-11-8(12)9(13)14/h5-6,10H,2-4H2,1H3,(H,13,14)
InChIKeyOFZDOIYCYKONNZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.37
Rot. Bonds4

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

5-[(cyclopropylamino)methyl]-1-methylimidazole-2-carboxylic acid (PubChem CID 117192841) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-1-methylimidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-1-methylimidazole-2-carboxylic acid
PubChem CID117192841
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-[(cyclopropylamino)methyl]-1-methylimidazole-2-carboxylic acid
SMILESCn1c(CNC2CC2)cnc1C(=O)O
InChIInChI=1S/C9H13N3O2/c1-12-7(4-10-6-2-3-6)5-11-8(12)9(13)14/h5-6,10H,2-4H2,1H3,(H,13,14)
InChIKeyOFZDOIYCYKONNZ-UHFFFAOYSA-N
XLogP0.37
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid
CID 117193191
5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid
CID 117213219
6-[(cyclopropylamino)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 114514780
N-[[3-(2-methoxyethyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172121
N-[[3-(3,3-dimethylbutyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171713
N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine
CID 65172120
2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid
CID 84664586
4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 66161861
N-[(2,3-dimethylimidazol-4-yl)methyl]cyclopropanecarboxamide
CID 164659423
4-[(cyclopentylamino)methyl]-1-ethylpyrazole-5-carboxylic acid
CID 117216786
N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172064
1-methyl-5-[[(4-propylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116630994

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-1-methylimidazole-2-carboxylic acid?
The IUPAC name of 5-[(cyclopropylamino)methyl]-1-methylimidazole-2-carboxylic acid (CID 117192841) is 5-[(cyclopropylamino)methyl]-1-methylimidazole-2-carboxylic acid.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-1-methylimidazole-2-carboxylic acid?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-1-methylimidazole-2-carboxylic acid is Cn1c(CNC2CC2)cnc1C(=O)O.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-1-methylimidazole-2-carboxylic acid?
The InChIKey is OFZDOIYCYKONNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-7(4-10-6-2-3-6)5-11-8(12)9(13)14/h5-6,10H,2-4H2,1H3,(H,13,14).
What are the key properties of 5-[(cyclopropylamino)methyl]-1-methylimidazole-2-carboxylic acid?
5-[(cyclopropylamino)methyl]-1-methylimidazole-2-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-1-methylimidazole-2-carboxylic acid is sourced from PubChem (CID 117192841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).