L cysteine

C₃H₇NO₂S — CID 5862

About L cysteine

L cysteine (PubChem CID 5862) has the molecular formula C₃H₇NO₂S and a molecular weight of 121.16 g/mol. Its IUPAC name is (2R)-2-amino-3-sulfanylpropanoic acid.

Molecular Properties

• Compound Name: L cysteine
• PubChem CID: 5862
• Molecular Formula: C₃H₇NO₂S
• Molecular Weight: 121.16 g/mol
• Exact Mass: 121.02
• IUPAC Name: (2R)-2-amino-3-sulfanylpropanoic acid
• SMILES: N[C@@H](CS)C(=O)O
• InChI: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
• InChIKey: XUJNEKJLAYXESH-REOHCLBHSA-N
• XLogP: -0.67
• TPSA: 63.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	121.16
LogP ≤ 5	-0.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of L cysteine?

The IUPAC name of L cysteine (CID 5862) is (2R)-2-amino-3-sulfanylpropanoic acid.

What is the SMILES notation for L cysteine?

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

What is the InChIKey of L cysteine?

The InChIKey is XUJNEKJLAYXESH-REOHCLBHSA-N. The full InChI is InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1.

What are the key properties of L cysteine?

L cysteine has a molecular weight of 121.16 g/mol, XLogP of -0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for L cysteine is sourced from PubChem (CID 5862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5862 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 769 — approved-drug record (CC BY-SA 4.0)

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