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Serine

Athanor · official

C3H7NO3 · 105.09 g/mol

IUPAC name: (2S)-2-amino-3-hydroxypropanoic acid

Also called L-serine

Amino acids
Open in Athanor
The structure of Serine
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
(2S)-2-amino-3-hydroxypropanoic acid
Synonyms
L-serine, (S)-2-Amino-3-hydroxypropanoic acid, (S)-Serine
+ 35 more

beta-Hydroxyalanine, L-(-)-Serine, L-ser, (2S)-2-amino-3-hydroxypropanoic acid, Serina, L-Serin, SER (IUPAC abbrev), Serinum, alpha-Amino-beta-hydroxypropionic acid, Serene, L-3-Hydroxy-alanine, beta-Hydroxy-L-alanine, L-2-Amino-3-hydroxypropionic acid, L-3-Hydroxy-2-aminopropionic acid, Propanoic acid, 2-amino-3-hydroxy-, (S)-, 3-Hydroxyalanine, (S)-(-)-Serine, CHEBI:17115, (S)-alpha-Amino-beta-hydroxypropionic acid, DTXSID60883230, 452VLY9402, NSC-118365, (S)-2-amino-3-hydroxy-Propanoic acid, 2-amino-3-hydroxypropanoate, l serine, (2S)-2-azaniumyl-3-hydroxypropanoate, CHEBI:17822, NSC118365, RefChem:6214, DTXCID501022779, 200-274-3, H-Ser-OH, Serine, L-, Serinum [Latin], Serina [Spanish]

Molecular formula
C3H7NO3
Empirical formula
C3H7NO3
Molecular weight
105.09 g/mol
Exact mass
105.04259
CAS number
56-45-1
PubChem CID
5951
Canonical SMILES
C(C(C(=O)O)N)O
Isomeric SMILES
C([C@@H](C(=O)O)N)O
InChI
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
InChIKey
MTCFGRXMJLQNBG-REOHCLBHSA-N
Molfile

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

Physical properties

TemperaturePressureDensity
Appearance
COLORLESS CRYSTALS[1]
Melting point
228 °C (decomposes)[1]
Solubility in water
Water solubility = 425 g/L at 25 °C[1]
log P
LogP = -3.07[1]

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms
7
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0.67
H-bond donors
3
H-bond acceptors
3 computed here · PubChem 4
Rotatable bonds
2
TPSA (Ų)
83.5 computed here · PubChem 83.6
Formal charge
0
XLogP3
-3.1 PubChem
Complexity
72 PubChem
Stereocenters
1 definedCIP: C3: S
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

  • C34.29%
  • H6.71%
  • N13.33%
  • O45.67%

Isotope pattern

100%105.0433.8%106.045107.047

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
-1.61 Crippen (Wildman and Crippen 1999)
log S (water solubility)
0.65 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
2.63 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 105.09
  • log P ≤ 5 (Crippen): -1.61
  • 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 94% (236 of 251) of all reports.[2]

Safety data sheets on the supplier’s page: Ambeed, Sigma-Aldrich, Enamine.

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]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
  2. [2]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · 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 Europe · Linked only · via PubChem · retrieved 2026-10-14
  6. [6]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  7. [7]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  8. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  9. ·Literature on PubChem

Data last updated 2026-10-14.