(2R)-2-azaniumyl-3-sulfanylpropanoate

C3H7NO2S — CID 6419722

💊View drug profile → cysteine
IUPAC(2R)-2-azaniumyl-3-sulfanylpropanoate
SMILES[NH3+][C@@H](CS)C(=O)[O-]
InChIInChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyXUJNEKJLAYXESH-REOHCLBHSA-N
MW121.16 g/mol
LogP-2.72
Rot. Bonds2

About (2R)-2-azaniumyl-3-sulfanylpropanoate

(2R)-2-azaniumyl-3-sulfanylpropanoate (PubChem CID 6419722) has the molecular formula C3H7NO2S and a molecular weight of 121.16 g/mol. Its IUPAC name is (2R)-2-azaniumyl-3-sulfanylpropanoate.

Molecular Properties

Compound Name(2R)-2-azaniumyl-3-sulfanylpropanoate
PubChem CID6419722
Molecular FormulaC3H7NO2S
Molecular Weight121.16 g/mol
Exact Mass121.02
IUPAC Name(2R)-2-azaniumyl-3-sulfanylpropanoate
SMILES[NH3+][C@@H](CS)C(=O)[O-]
InChIInChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyXUJNEKJLAYXESH-REOHCLBHSA-N
XLogP-2.72
TPSA67.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 5-2.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-azaniumyl-3-sulfanylpropanoate?
The IUPAC name of (2R)-2-azaniumyl-3-sulfanylpropanoate (CID 6419722) is (2R)-2-azaniumyl-3-sulfanylpropanoate.
What is the SMILES notation for (2R)-2-azaniumyl-3-sulfanylpropanoate?
The canonical SMILES for (2R)-2-azaniumyl-3-sulfanylpropanoate is [NH3+][C@@H](CS)C(=O)[O-].
What is the InChIKey of (2R)-2-azaniumyl-3-sulfanylpropanoate?
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 (2R)-2-azaniumyl-3-sulfanylpropanoate?
(2R)-2-azaniumyl-3-sulfanylpropanoate has a molecular weight of 121.16 g/mol, XLogP of -2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azaniumyl-3-sulfanylpropanoate is sourced from PubChem (CID 6419722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).