3-(4-amino-1H-imidazol-5-yl)propanoic acid

C6H9N3O2 — CID 23195940

IUPAC3-(4-amino-1H-imidazol-5-yl)propanoic acid
SMILESNc1nc[nH]c1CCC(=O)O
InChIInChI=1S/C6H9N3O2/c7-6-4(8-3-9-6)1-2-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)
InChIKeyQJHJONHBEMHAJF-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.01
Rot. Bonds3

About 3-(4-amino-1H-imidazol-5-yl)propanoic acid

3-(4-amino-1H-imidazol-5-yl)propanoic acid (PubChem CID 23195940) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 3-(4-amino-1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-amino-1H-imidazol-5-yl)propanoic acid
PubChem CID23195940
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name3-(4-amino-1H-imidazol-5-yl)propanoic acid
SMILESNc1nc[nH]c1CCC(=O)O
InChIInChI=1S/C6H9N3O2/c7-6-4(8-3-9-6)1-2-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)
InChIKeyQJHJONHBEMHAJF-UHFFFAOYSA-N
XLogP0.01
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1H-imidazol-5-yl)propanoic acid?
The IUPAC name of 3-(4-amino-1H-imidazol-5-yl)propanoic acid (CID 23195940) is 3-(4-amino-1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(4-amino-1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for 3-(4-amino-1H-imidazol-5-yl)propanoic acid is Nc1nc[nH]c1CCC(=O)O.
What is the InChIKey of 3-(4-amino-1H-imidazol-5-yl)propanoic acid?
The InChIKey is QJHJONHBEMHAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-6-4(8-3-9-6)1-2-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11).
What are the key properties of 3-(4-amino-1H-imidazol-5-yl)propanoic acid?
3-(4-amino-1H-imidazol-5-yl)propanoic acid has a molecular weight of 155.16 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 23195940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).