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D-Methionine

Athanor · official

C5H11NO2S · 149.21 g/mol

IUPAC name: (2R)-2-amino-4-methylsulfanylbutanoic acid

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

Names and identifiers

IUPAC name
(2R)-2-amino-4-methylsulfanylbutanoic acid
Synonyms
(R)-Methionine, D-Methionin, D-Metionien
+ 35 more

(R)-2-amino-4-(methylthio)butanoic acid, METHIONINE, D-, Methionine D-, Methionine d-form, D-Metionien [Australian], (2R)-2-amino-4-(methylsulfanyl)butanoic acid, (2R)-2-amino-4-methylsulfanylbutanoic acid, D-2-Amino-4-(methylthio)butyric acid, METHIONINE D-FORM [MI], CHEBI:16867, EINECS 206-483-6, NSC 45689, 868496F25R, DTXSID90883369, NSC-45689, D-Metionien (Australian), RefChem:584336, DTXCID201022906, 206-483-6, H-D-Met-OH, MRx-1024, MFCD00002622, D-2-Amino-4-(methylthio)butanoic acid, R-Methionine, CHEMBL1234268, MED, D-Methionine, puriss., >=99.0% (NT), (R)-2-Amino-4-(methylmercapto)butyric acid, M02939, (R)-Methionine; MRX 1024; NSC 45689; S-Methyl-D-homocysteine, s4494, UNII-868496F25R, D-Met, D-Met-OH, (2R)-2-amino-

Molecular formula
C5H11NO2S
Empirical formula
C5H11NO2S
Molecular weight
149.21 g/mol
Exact mass
149.05105
CAS number
348-67-4
PubChem CID
84815
Canonical SMILES
CSCCC(C(=O)O)N
Isomeric SMILES
CSCC[C@H](C(=O)O)N
InChI
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChIKey
FFEARJCKVFRZRR-SCSAIBSYSA-N
Molfile

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

Calculated

Heavy atoms
9
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0.8
H-bond donors
2
H-bond acceptors
3 computed here · PubChem 4
Rotatable bonds
4
TPSA (Ų)
63.3 computed here · PubChem 88.6
Formal charge
0
XLogP3
-1.9 PubChem
Complexity
97 PubChem
Stereocenters
1 definedCIP: C5: 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

  • C40.25%
  • H7.43%
  • N9.39%
  • O21.44%
  • S21.49%

Isotope pattern

100%149.0516.8%150.0545.1%151.048152.051

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
0.15 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-0.6 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
2.64 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 149.22
  • log P ≤ 5 (Crippen): 0.15
  • H-bond donors ≤ 5: 2
  • 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: Biorbyt, 001Chemical, Pi Chemicals.

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]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  3. [3]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  4. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  5. ·Literature on PubChem

Data last updated 2026-10-14.