2-amino-5-imidazol-1-ylpentanoic acid

C8H13N3O2 — CID 54519816

IUPAC2-amino-5-imidazol-1-ylpentanoic acid
SMILESNC(CCCn1ccnc1)C(=O)O
InChIInChI=1S/C8H13N3O2/c9-7(8(12)13)2-1-4-11-5-3-10-6-11/h3,5-7H,1-2,4,9H2,(H,12,13)
InChIKeyYOZILTCAMWIQSJ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.08
Rot. Bonds5

About 2-amino-5-imidazol-1-ylpentanoic acid

2-amino-5-imidazol-1-ylpentanoic acid (PubChem CID 54519816) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-5-imidazol-1-ylpentanoic acid.

Molecular Properties

Compound Name2-amino-5-imidazol-1-ylpentanoic acid
PubChem CID54519816
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-amino-5-imidazol-1-ylpentanoic acid
SMILESNC(CCCn1ccnc1)C(=O)O
InChIInChI=1S/C8H13N3O2/c9-7(8(12)13)2-1-4-11-5-3-10-6-11/h3,5-7H,1-2,4,9H2,(H,12,13)
InChIKeyYOZILTCAMWIQSJ-UHFFFAOYSA-N
XLogP0.08
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-imidazol-1-ylpentanoic acid?
The IUPAC name of 2-amino-5-imidazol-1-ylpentanoic acid (CID 54519816) is 2-amino-5-imidazol-1-ylpentanoic acid.
What is the SMILES notation for 2-amino-5-imidazol-1-ylpentanoic acid?
The canonical SMILES for 2-amino-5-imidazol-1-ylpentanoic acid is NC(CCCn1ccnc1)C(=O)O.
What is the InChIKey of 2-amino-5-imidazol-1-ylpentanoic acid?
The InChIKey is YOZILTCAMWIQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-7(8(12)13)2-1-4-11-5-3-10-6-11/h3,5-7H,1-2,4,9H2,(H,12,13).
What are the key properties of 2-amino-5-imidazol-1-ylpentanoic acid?
2-amino-5-imidazol-1-ylpentanoic acid has a molecular weight of 183.21 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-imidazol-1-ylpentanoic acid is sourced from PubChem (CID 54519816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).