Mecysteine

C₄H₉NO₂S — CID 29145

About Mecysteine

Mecysteine (PubChem CID 29145) has the molecular formula C₄H₉NO₂S and a molecular weight of 135.19 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-sulfanylpropanoate.

Molecular Properties

• Compound Name: Mecysteine
• PubChem CID: 29145
• Molecular Formula: C₄H₉NO₂S
• Molecular Weight: 135.19 g/mol
• Exact Mass: 135.04
• IUPAC Name: methyl (2R)-2-amino-3-sulfanylpropanoate
• SMILES: COC(=O)[C@@H](N)CS
• InChI: InChI=1S/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3/t3-/m0/s1
• InChIKey: MCYHPZGUONZRGO-VKHMYHEASA-N
• XLogP: -0.58
• TPSA: 52.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	135.19
LogP ≤ 5	-0.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Mecysteine?

The IUPAC name of Mecysteine (CID 29145) is methyl (2R)-2-amino-3-sulfanylpropanoate.

What is the SMILES notation for Mecysteine?

The canonical SMILES for Mecysteine is COC(=O)[C@@H](N)CS.

What is the InChIKey of Mecysteine?

The InChIKey is MCYHPZGUONZRGO-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3/t3-/m0/s1.

What are the key properties of Mecysteine?

Mecysteine has a molecular weight of 135.19 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Mecysteine is sourced from PubChem (CID 29145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 29145 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1653 — approved-drug record (CC BY-SA 4.0)

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