2-(aminomethyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid

C5H9N3O2 — CID 59104970

IUPAC2-(aminomethyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid
SMILESNCC1=NCC(C(=O)O)N1
InChIInChI=1S/C5H9N3O2/c6-1-4-7-2-3(8-4)5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKeyJBZJEEYOKLKXOO-UHFFFAOYSA-N
MW143.15 g/mol
LogP-1.60
Rot. Bonds2

About 2-(aminomethyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid

2-(aminomethyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid (PubChem CID 59104970) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 2-(aminomethyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid
PubChem CID59104970
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name2-(aminomethyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid
SMILESNCC1=NCC(C(=O)O)N1
InChIInChI=1S/C5H9N3O2/c6-1-4-7-2-3(8-4)5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKeyJBZJEEYOKLKXOO-UHFFFAOYSA-N
XLogP-1.60
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid (CID 59104970) is 2-(aminomethyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid is NCC1=NCC(C(=O)O)N1.
What is the InChIKey of 2-(aminomethyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid?
The InChIKey is JBZJEEYOKLKXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c6-1-4-7-2-3(8-4)5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10).
What are the key properties of 2-(aminomethyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid?
2-(aminomethyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid has a molecular weight of 143.15 g/mol, XLogP of -1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 59104970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).