5-[[amino(azaniumyl)methyl]amino]-2-azaniumylpentanoate

C6H17N4O2+ — CID 21354865

IUPAC5-[[amino(azaniumyl)methyl]amino]-2-azaniumylpentanoate
SMILESNC([NH3+])NCCCC([NH3+])C(=O)[O-]
InChIInChI=1S/C6H16N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4,6,10H,1-3,7-9H2,(H,11,12)/p+1
InChIKeyQAIZWPHEKDLAOM-UHFFFAOYSA-O
MW177.23 g/mol
LogP-4.80
Rot. Bonds6

About 5-[[amino(azaniumyl)methyl]amino]-2-azaniumylpentanoate

5-[[amino(azaniumyl)methyl]amino]-2-azaniumylpentanoate (PubChem CID 21354865) has the molecular formula C6H17N4O2+ and a molecular weight of 177.23 g/mol. Its IUPAC name is 5-[[amino(azaniumyl)methyl]amino]-2-azaniumylpentanoate.

Molecular Properties

Compound Name5-[[amino(azaniumyl)methyl]amino]-2-azaniumylpentanoate
PubChem CID21354865
Molecular FormulaC6H17N4O2+
Molecular Weight177.23 g/mol
Exact Mass177.13
IUPAC Name5-[[amino(azaniumyl)methyl]amino]-2-azaniumylpentanoate
SMILESNC([NH3+])NCCCC([NH3+])C(=O)[O-]
InChIInChI=1S/C6H16N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4,6,10H,1-3,7-9H2,(H,11,12)/p+1
InChIKeyQAIZWPHEKDLAOM-UHFFFAOYSA-O
XLogP-4.80
TPSA133.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 5-4.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-azaniumyl-5-(azaniumylcarbonylamino)pentanoate
CID 140748256
[5-[[amino(azaniumyl)methyl]amino]-1-oxo-1-(tetradecylamino)pentan-2-yl]azanium dichloride
CID 175685044
2,6-bis(azaniumyl)hexanoate
CID 5242389
(2S)-2-azaniumyl-6-oxohexanoate
CID 36688062
2-azaniumyl-5-[diaminomethylidene(methyl)azaniumyl]pentanoate
CID 20723678
(2S)-2-azaniumyl-4-fluorobutanoate
CID 10486843
(2R)-2-azaniumyl-4-sulfanylbutanoate
CID 6971069
6-[[2-[2-[2-[[2-[(5-amino-5-carboxylatopentyl)amino]-2-oxoethyl]-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetyl]amino]-2-azaniumylhexanoate;gadolinium(3+)
CID 159783023
(2S)-2-azaniumyl-3-chloropropanoate
CID 5287866
2-azaniumylpentanedioate;2,6-bis(azaniumyl)hexanoate
CID 158540866
2-azaniumyl-6-(hydroxymethylazaniumyl)hexanoate
CID 23278784
2-azaniumyl-5-hydroxy-5-oxopentanoate
CID 57397101

Frequently Asked Questions

What is the IUPAC name of 5-[[amino(azaniumyl)methyl]amino]-2-azaniumylpentanoate?
The IUPAC name of 5-[[amino(azaniumyl)methyl]amino]-2-azaniumylpentanoate (CID 21354865) is 5-[[amino(azaniumyl)methyl]amino]-2-azaniumylpentanoate.
What is the SMILES notation for 5-[[amino(azaniumyl)methyl]amino]-2-azaniumylpentanoate?
The canonical SMILES for 5-[[amino(azaniumyl)methyl]amino]-2-azaniumylpentanoate is NC([NH3+])NCCCC([NH3+])C(=O)[O-].
What is the InChIKey of 5-[[amino(azaniumyl)methyl]amino]-2-azaniumylpentanoate?
The InChIKey is QAIZWPHEKDLAOM-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H16N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4,6,10H,1-3,7-9H2,(H,11,12)/p+1.
What are the key properties of 5-[[amino(azaniumyl)methyl]amino]-2-azaniumylpentanoate?
5-[[amino(azaniumyl)methyl]amino]-2-azaniumylpentanoate has a molecular weight of 177.23 g/mol, XLogP of -4.80, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[amino(azaniumyl)methyl]amino]-2-azaniumylpentanoate is sourced from PubChem (CID 21354865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).