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D-Lysine

Athanor · official

C6H14N2O2 · 146.19 g/mol

IUPAC name: (2R)-2,6-diaminohexanoic acid

Amino acids
Open in Athanor
The structure of D-Lysine
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
(2R)-2,6-diaminohexanoic acid
Synonyms
(R)-2,6-Diaminohexanoic acid, (2R)-2,6-diaminohexanoic acid, D-2,6-Diaminohexanoic acid
+ 34 more

Lysine, D-, D-Lysin, (r)-lysine, UNII-3HQ6U6424Q, 3HQ6U6424Q, D-2,6-Diaminohexanoate, EINECS 213-091-9, (-)-R-LYSINE, DTXSID4074986, CHEBI:16855, RefChem:130646, (R)-2,6-Diaminohexanoate, DTXCID8048789, 213-091-9, KDXKERNSBIXSRK-RXMQYKEDSA-N, MFCD00008234, D-Lys, DLY, Lysine #, HSDB 2108, Aminutrin, 6-amino-, L-Lysine (9CI), D-Lysine(>90%), Lysine, L- (8CI), SCHEMBL7343, CHEMBL319497, GTPL4681, orb2944196, SCHEMBL29438737, BDBM217368, D-Lysine, >=98% (HPLC), (R,S)-2,6-Diamino-hexanoic acid, HY-Y1091, EBC-44077

Molecular formula
C6H14N2O2
Empirical formula
C3H7NO
Molecular weight
146.19 g/mol
Exact mass
146.10553
CAS number
923-27-3
PubChem CID
57449
Canonical SMILES
C(CCN)CC(C(=O)O)N
Isomeric SMILES
C(CCN)C[C@H](C(=O)O)N
InChI
InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1
InChIKey
KDXKERNSBIXSRK-RXMQYKEDSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
10
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0.83
H-bond donors
3
H-bond acceptors
3 computed here · PubChem 4
Rotatable bonds
5
TPSA (Ų)
89.3
Formal charge
0
XLogP3
-3 PubChem
Complexity
106 PubChem
Stereocenters
1 definedCIP: C6: R
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C49.30%
  • H9.65%
  • N19.16%
  • O21.89%

Isotope pattern

100%146.1067.5%147.108148.110

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
-0.47 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-0.12 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
2.47 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 146.19
  • log P ≤ 5 (Crippen): -0.47
  • H-bond donors ≤ 5: 3
  • H-bond acceptors ≤ 10: 3

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.[1]

Safety data sheets on the supplier’s page: Oakwood Products, Aladdin Scientific, BOC Sciences.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  2. [2]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
  3. [3]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  5. [5]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  6. [6]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  7. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  8. ·Literature on PubChem

Data last updated 2026-10-14.