2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid

C8H14N4O2 — CID 91253396

IUPAC2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid
SMILESNc1nccn1CCCC(N)C(=O)O
InChIInChI=1S/C8H14N4O2/c9-6(7(13)14)2-1-4-12-5-3-11-8(12)10/h3,5-6H,1-2,4,9H2,(H2,10,11)(H,13,14)
InChIKeyWGFGZNVQMGCHHV-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.34
Rot. Bonds5

About 2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid

2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid (PubChem CID 91253396) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid
PubChem CID91253396
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid
SMILESNc1nccn1CCCC(N)C(=O)O
InChIInChI=1S/C8H14N4O2/c9-6(7(13)14)2-1-4-12-5-3-11-8(12)10/h3,5-6H,1-2,4,9H2,(H2,10,11)(H,13,14)
InChIKeyWGFGZNVQMGCHHV-UHFFFAOYSA-N
XLogP-0.34
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-5-(2-aminoimidazol-1-yl)pentanoic 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-amino-5-(2-aminoimidazol-1-yl)pentanoic acid?
The IUPAC name of 2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid (CID 91253396) is 2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid.
What is the SMILES notation for 2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid?
The canonical SMILES for 2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid is Nc1nccn1CCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid?
The InChIKey is WGFGZNVQMGCHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c9-6(7(13)14)2-1-4-12-5-3-11-8(12)10/h3,5-6H,1-2,4,9H2,(H2,10,11)(H,13,14).
What are the key properties of 2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid?
2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid has a molecular weight of 198.23 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid is sourced from PubChem (CID 91253396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).