(2S)-2,6-diaminohexanoate;hydron

C6H14N2O2 — CID 71774817

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IUPAC(2S)-2,6-diaminohexanoate;hydron
SMILESNCCCC[C@H](N)C(=O)[O-].[H+]
InChIInChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
InChIKeyKDXKERNSBIXSRK-YFKPBYRVSA-N
MW146.19 g/mol
LogP-1.69
Rot. Bonds5

About (2S)-2,6-diaminohexanoate;hydron

(2S)-2,6-diaminohexanoate;hydron (PubChem CID 71774817) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2S)-2,6-diaminohexanoate;hydron.

Molecular Properties

Compound Name(2S)-2,6-diaminohexanoate;hydron
PubChem CID71774817
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name(2S)-2,6-diaminohexanoate;hydron
SMILESNCCCC[C@H](N)C(=O)[O-].[H+]
InChIInChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
InChIKeyKDXKERNSBIXSRK-YFKPBYRVSA-N
XLogP-1.69
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (2S)-2,6-diaminohexanoate;hydron?
The IUPAC name of (2S)-2,6-diaminohexanoate;hydron (CID 71774817) is (2S)-2,6-diaminohexanoate;hydron.
What is the SMILES notation for (2S)-2,6-diaminohexanoate;hydron?
The canonical SMILES for (2S)-2,6-diaminohexanoate;hydron is NCCCC[C@H](N)C(=O)[O-].[H+].
What is the InChIKey of (2S)-2,6-diaminohexanoate;hydron?
The InChIKey is KDXKERNSBIXSRK-YFKPBYRVSA-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)/t5-/m0/s1.
What are the key properties of (2S)-2,6-diaminohexanoate;hydron?
(2S)-2,6-diaminohexanoate;hydron has a molecular weight of 146.19 g/mol, XLogP of -1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diaminohexanoate;hydron is sourced from PubChem (CID 71774817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).