[(1S)-5-azaniumyl-1-carboxypentyl]azanium

C6H16N2O2+2 — CID 5460925

IUPAC[(1S)-5-azaniumyl-1-carboxypentyl]azanium
SMILES[NH3+]CCCC[C@H]([NH3+])C(=O)O
InChIInChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+2/t5-/m0/s1
InChIKeyKDXKERNSBIXSRK-YFKPBYRVSA-P
MW148.21 g/mol
LogP-1.91
Rot. Bonds5

About [(1S)-5-azaniumyl-1-carboxypentyl]azanium

[(1S)-5-azaniumyl-1-carboxypentyl]azanium (PubChem CID 5460925) has the molecular formula C6H16N2O2+2 and a molecular weight of 148.21 g/mol. Its IUPAC name is [(1S)-5-azaniumyl-1-carboxypentyl]azanium.

Molecular Properties

Compound Name[(1S)-5-azaniumyl-1-carboxypentyl]azanium
PubChem CID5460925
Molecular FormulaC6H16N2O2+2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Name[(1S)-5-azaniumyl-1-carboxypentyl]azanium
SMILES[NH3+]CCCC[C@H]([NH3+])C(=O)O
InChIInChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+2/t5-/m0/s1
InChIKeyKDXKERNSBIXSRK-YFKPBYRVSA-P
XLogP-1.91
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S)-5-azaniumyl-1-carboxypentyl]azanium?
The IUPAC name of [(1S)-5-azaniumyl-1-carboxypentyl]azanium (CID 5460925) is [(1S)-5-azaniumyl-1-carboxypentyl]azanium.
What is the SMILES notation for [(1S)-5-azaniumyl-1-carboxypentyl]azanium?
The canonical SMILES for [(1S)-5-azaniumyl-1-carboxypentyl]azanium is [NH3+]CCCC[C@H]([NH3+])C(=O)O.
What is the InChIKey of [(1S)-5-azaniumyl-1-carboxypentyl]azanium?
The InChIKey is KDXKERNSBIXSRK-YFKPBYRVSA-P. The full InChI is InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+2/t5-/m0/s1.
What are the key properties of [(1S)-5-azaniumyl-1-carboxypentyl]azanium?
[(1S)-5-azaniumyl-1-carboxypentyl]azanium has a molecular weight of 148.21 g/mol, XLogP of -1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-5-azaniumyl-1-carboxypentyl]azanium is sourced from PubChem (CID 5460925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).