iodanium 5-aminopentanoate

C5H12INO2 — CID 162316795

IUPACiodanium 5-aminopentanoate
SMILESNCCCCC(=O)[O-].[IH2+]
InChIInChI=1S/C5H11NO2.H2I/c6-4-2-1-3-5(7)8;/h1-4,6H2,(H,7,8);1H2/q;+1/p-1
InChIKeyDLSJGNDLKRLBIG-UHFFFAOYSA-M
MW245.06 g/mol
LogP-4.67
Rot. Bonds4

About iodanium 5-aminopentanoate

iodanium 5-aminopentanoate (PubChem CID 162316795) has the molecular formula C5H12INO2 and a molecular weight of 245.06 g/mol. Its IUPAC name is iodanium 5-aminopentanoate.

Molecular Properties

Compound Nameiodanium 5-aminopentanoate
PubChem CID162316795
Molecular FormulaC5H12INO2
Molecular Weight245.06 g/mol
Exact Mass244.99
IUPAC Nameiodanium 5-aminopentanoate
SMILESNCCCCC(=O)[O-].[IH2+]
InChIInChI=1S/C5H11NO2.H2I/c6-4-2-1-3-5(7)8;/h1-4,6H2,(H,7,8);1H2/q;+1/p-1
InChIKeyDLSJGNDLKRLBIG-UHFFFAOYSA-M
XLogP-4.67
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.06
LogP ≤ 5-4.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tris(11-aminoundecanoate);gold(3+)
CID 173276062
octan-1-amine;octanoate
CID 23330056
strontium hexanedioate
CID 134687758
magnesium hexanedioate
CID 24074
cadmium(2+);hexanedioate
CID 19376883
tridecanedioate
CID 6994474
disodium;undecanedioate
CID 15107599
dipotassium;octadecanedioate
CID 141466899
calcium decanedioate
CID 11637296
decanedioate dichloride
CID 21256251
dibismuth;tris(nonanedioate)
CID 173224370
lithium;hexanedioate;hydron
CID 87066964

Frequently Asked Questions

What is the IUPAC name of iodanium 5-aminopentanoate?
The IUPAC name of iodanium 5-aminopentanoate (CID 162316795) is iodanium 5-aminopentanoate.
What is the SMILES notation for iodanium 5-aminopentanoate?
The canonical SMILES for iodanium 5-aminopentanoate is NCCCCC(=O)[O-].[IH2+].
What is the InChIKey of iodanium 5-aminopentanoate?
The InChIKey is DLSJGNDLKRLBIG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO2.H2I/c6-4-2-1-3-5(7)8;/h1-4,6H2,(H,7,8);1H2/q;+1/p-1.
What are the key properties of iodanium 5-aminopentanoate?
iodanium 5-aminopentanoate has a molecular weight of 245.06 g/mol, XLogP of -4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodanium 5-aminopentanoate is sourced from PubChem (CID 162316795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).