L threonine

C₄H₉NO₃ — CID 6288

About L threonine

L threonine (PubChem CID 6288) has the molecular formula C₄H₉NO₃ and a molecular weight of 119.12 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-hydroxybutanoic acid.

Molecular Properties

• Compound Name: L threonine
• PubChem CID: 6288
• Molecular Formula: C₄H₉NO₃
• Molecular Weight: 119.12 g/mol
• Exact Mass: 119.06
• IUPAC Name: (2S,3R)-2-amino-3-hydroxybutanoic acid
• SMILES: C[C@@H](O)[C@H](N)C(=O)O
• InChI: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
• InChIKey: AYFVYJQAPQTCCC-GBXIJSLDSA-N
• XLogP: -1.22
• TPSA: 83.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	119.12
LogP ≤ 5	-1.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of L threonine?

The IUPAC name of L threonine (CID 6288) is (2S,3R)-2-amino-3-hydroxybutanoic acid.

What is the SMILES notation for L threonine?

The canonical SMILES for L threonine is C[C@@H](O)[C@H](N)C(=O)O.

What is the InChIKey of L threonine?

The InChIKey is AYFVYJQAPQTCCC-GBXIJSLDSA-N. The full InChI is InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1.

What are the key properties of L threonine?

L threonine has a molecular weight of 119.12 g/mol, XLogP of -1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for L threonine is sourced from PubChem (CID 6288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6288 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4254 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.