2-amino-6-azaniumylhexanoate

C6H14N2O2 — CID 5248709

IUPAC2-amino-6-azaniumylhexanoate
SMILESNC(CCCC[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)
InChIKeyKDXKERNSBIXSRK-UHFFFAOYSA-N
MW146.19 g/mol
LogP-2.52
Rot. Bonds5

About 2-amino-6-azaniumylhexanoate

2-amino-6-azaniumylhexanoate (PubChem CID 5248709) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-amino-6-azaniumylhexanoate.

Molecular Properties

Compound Name2-amino-6-azaniumylhexanoate
PubChem CID5248709
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name2-amino-6-azaniumylhexanoate
SMILESNC(CCCC[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)
InChIKeyKDXKERNSBIXSRK-UHFFFAOYSA-N
XLogP-2.52
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-2.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

L-Lysine
CID 5962
Caprine
CID 21236
Lysine, DL-
CID 866
CID 88747248
CID 88747248
(2S)-2-amino-6-azaniumylhexanoate
CID 168007633
L-Lysine monohydrochloride
CID 69568
D-Lysine
CID 57449
CID 71774817
CID 71774817
Lysine zwitterion
CID 122198194
L,L-Diaminopimelic acid
CID 439283
(2S,6S)-2,6-bis(azaniumyl)heptanedioate
CID 1549100
Lysine hydrochloride, DL-
CID 12047

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-azaniumylhexanoate?
The IUPAC name of 2-amino-6-azaniumylhexanoate (CID 5248709) is 2-amino-6-azaniumylhexanoate.
What is the SMILES notation for 2-amino-6-azaniumylhexanoate?
The canonical SMILES for 2-amino-6-azaniumylhexanoate is NC(CCCC[NH3+])C(=O)[O-].
What is the InChIKey of 2-amino-6-azaniumylhexanoate?
The InChIKey is KDXKERNSBIXSRK-UHFFFAOYSA-N. 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).
What are the key properties of 2-amino-6-azaniumylhexanoate?
2-amino-6-azaniumylhexanoate has a molecular weight of 146.19 g/mol, XLogP of -2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-azaniumylhexanoate is sourced from PubChem (CID 5248709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).