(2R)-2-(tert-butylsulfanylamino)-3-sulfanylpropanoic acid

C7H15NO2S2 — CID 6933190

IUPAC(2R)-2-(tert-butylsulfanylamino)-3-sulfanylpropanoic acid
SMILESCC(C)(C)SN[C@@H](CS)C(=O)O
InChIInChI=1S/C7H15NO2S2/c1-7(2,3)12-8-5(4-11)6(9)10/h5,8,11H,4H2,1-3H3,(H,9,10)/t5-/m0/s1
InChIKeyAZLKLYCSUAIZIQ-YFKPBYRVSA-N
MW209.34 g/mol
LogP1.41
Rot. Bonds4

About (2R)-2-(tert-butylsulfanylamino)-3-sulfanylpropanoic acid

(2R)-2-(tert-butylsulfanylamino)-3-sulfanylpropanoic acid (PubChem CID 6933190) has the molecular formula C7H15NO2S2 and a molecular weight of 209.34 g/mol. Its IUPAC name is (2R)-2-(tert-butylsulfanylamino)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(tert-butylsulfanylamino)-3-sulfanylpropanoic acid
PubChem CID6933190
Molecular FormulaC7H15NO2S2
Molecular Weight209.34 g/mol
Exact Mass209.05
IUPAC Name(2R)-2-(tert-butylsulfanylamino)-3-sulfanylpropanoic acid
SMILESCC(C)(C)SN[C@@H](CS)C(=O)O
InChIInChI=1S/C7H15NO2S2/c1-7(2,3)12-8-5(4-11)6(9)10/h5,8,11H,4H2,1-3H3,(H,9,10)/t5-/m0/s1
InChIKeyAZLKLYCSUAIZIQ-YFKPBYRVSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(tert-butylsulfanylamino)-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-(tert-butylsulfanylamino)-3-sulfanylpropanoic acid (CID 6933190) is (2R)-2-(tert-butylsulfanylamino)-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-(tert-butylsulfanylamino)-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-(tert-butylsulfanylamino)-3-sulfanylpropanoic acid is CC(C)(C)SN[C@@H](CS)C(=O)O.
What is the InChIKey of (2R)-2-(tert-butylsulfanylamino)-3-sulfanylpropanoic acid?
The InChIKey is AZLKLYCSUAIZIQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H15NO2S2/c1-7(2,3)12-8-5(4-11)6(9)10/h5,8,11H,4H2,1-3H3,(H,9,10)/t5-/m0/s1.
What are the key properties of (2R)-2-(tert-butylsulfanylamino)-3-sulfanylpropanoic acid?
(2R)-2-(tert-butylsulfanylamino)-3-sulfanylpropanoic acid has a molecular weight of 209.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(tert-butylsulfanylamino)-3-sulfanylpropanoic acid is sourced from PubChem (CID 6933190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).