5-aminopentanoic acid;hydroiodide

C5H12INO2 — CID 118324268

IUPAC5-aminopentanoic acid;hydroiodide
SMILESI.NCCCCC(=O)O
InChIInChI=1S/C5H11NO2.HI/c6-4-2-1-3-5(7)8;/h1-4,6H2,(H,7,8);1H
InChIKeyQRCPJIVRDACIKP-UHFFFAOYSA-N
MW245.06 g/mol
LogP0.82
Rot. Bonds4

About 5-aminopentanoic acid;hydroiodide

5-aminopentanoic acid;hydroiodide (PubChem CID 118324268) has the molecular formula C5H12INO2 and a molecular weight of 245.06 g/mol. Its IUPAC name is 5-aminopentanoic acid;hydroiodide.

Molecular Properties

Compound Name5-aminopentanoic acid;hydroiodide
PubChem CID118324268
Molecular FormulaC5H12INO2
Molecular Weight245.06 g/mol
Exact Mass244.99
IUPAC Name5-aminopentanoic acid;hydroiodide
SMILESI.NCCCCC(=O)O
InChIInChI=1S/C5H11NO2.HI/c6-4-2-1-3-5(7)8;/h1-4,6H2,(H,7,8);1H
InChIKeyQRCPJIVRDACIKP-UHFFFAOYSA-N
XLogP0.82
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.06
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-aminopentanoic acid;hydroiodide?
The IUPAC name of 5-aminopentanoic acid;hydroiodide (CID 118324268) is 5-aminopentanoic acid;hydroiodide.
What is the SMILES notation for 5-aminopentanoic acid;hydroiodide?
The canonical SMILES for 5-aminopentanoic acid;hydroiodide is I.NCCCCC(=O)O.
What is the InChIKey of 5-aminopentanoic acid;hydroiodide?
The InChIKey is QRCPJIVRDACIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.HI/c6-4-2-1-3-5(7)8;/h1-4,6H2,(H,7,8);1H.
What are the key properties of 5-aminopentanoic acid;hydroiodide?
5-aminopentanoic acid;hydroiodide has a molecular weight of 245.06 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopentanoic acid;hydroiodide is sourced from PubChem (CID 118324268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).