2-(pyrrolidin-1-ylmethyl)-1H-imidazole-5-carboxylic acid

C9H13N3O2 — CID 68744194

IUPAC2-(pyrrolidin-1-ylmethyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CN2CCCC2)[nH]1
InChIInChI=1S/C9H13N3O2/c13-9(14)7-5-10-8(11-7)6-12-3-1-2-4-12/h5H,1-4,6H2,(H,10,11)(H,13,14)
InChIKeyDTMCMJOBLMTJKN-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.70
Rot. Bonds3

About 2-(pyrrolidin-1-ylmethyl)-1H-imidazole-5-carboxylic acid

2-(pyrrolidin-1-ylmethyl)-1H-imidazole-5-carboxylic acid (PubChem CID 68744194) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethyl)-1H-imidazole-5-carboxylic acid
PubChem CID68744194
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(pyrrolidin-1-ylmethyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CN2CCCC2)[nH]1
InChIInChI=1S/C9H13N3O2/c13-9(14)7-5-10-8(11-7)6-12-3-1-2-4-12/h5H,1-4,6H2,(H,10,11)(H,13,14)
InChIKeyDTMCMJOBLMTJKN-UHFFFAOYSA-N
XLogP0.70
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(pyrrolidin-1-ylmethyl)-1H-imidazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(pyrrolidin-1-ylmethyl)-1H-imidazole-5-carboxylic acid (CID 68744194) is 2-(pyrrolidin-1-ylmethyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(pyrrolidin-1-ylmethyl)-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(CN2CCCC2)[nH]1.
What is the InChIKey of 2-(pyrrolidin-1-ylmethyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is DTMCMJOBLMTJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-9(14)7-5-10-8(11-7)6-12-3-1-2-4-12/h5H,1-4,6H2,(H,10,11)(H,13,14).
What are the key properties of 2-(pyrrolidin-1-ylmethyl)-1H-imidazole-5-carboxylic acid?
2-(pyrrolidin-1-ylmethyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 68744194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).