(2S)-2-(2-diazohydrazinyl)-4-methylsulfanylbutanoic acid

C5H10N4O2S — CID 87221819

IUPAC(2S)-2-(2-diazohydrazinyl)-4-methylsulfanylbutanoic acid
SMILESCSCC[C@H](NN=[N+]=[N-])C(=O)O
InChIInChI=1S/C5H10N4O2S/c1-12-3-2-4(5(10)11)7-9-8-6/h4,7H,2-3H2,1H3,(H,10,11)/t4-/m0/s1
InChIKeyFQWZLZJRZNURGX-BYPYZUCNSA-N
MW190.23 g/mol
LogP1.01
Rot. Bonds6

About (2S)-2-(2-diazohydrazinyl)-4-methylsulfanylbutanoic acid

(2S)-2-(2-diazohydrazinyl)-4-methylsulfanylbutanoic acid (PubChem CID 87221819) has the molecular formula C5H10N4O2S and a molecular weight of 190.23 g/mol. Its IUPAC name is (2S)-2-(2-diazohydrazinyl)-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-diazohydrazinyl)-4-methylsulfanylbutanoic acid
PubChem CID87221819
Molecular FormulaC5H10N4O2S
Molecular Weight190.23 g/mol
Exact Mass190.05
IUPAC Name(2S)-2-(2-diazohydrazinyl)-4-methylsulfanylbutanoic acid
SMILESCSCC[C@H](NN=[N+]=[N-])C(=O)O
InChIInChI=1S/C5H10N4O2S/c1-12-3-2-4(5(10)11)7-9-8-6/h4,7H,2-3H2,1H3,(H,10,11)/t4-/m0/s1
InChIKeyFQWZLZJRZNURGX-BYPYZUCNSA-N
XLogP1.01
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(methylamino)-4-methylsulfanylbutanoic acid
CID 6451891
2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid
CID 134588885
4-methylsulfanyl-2-(oxidoamino)butanoic acid
CID 22493019
(2S)-4-methylsulfanyl-2-(methylsulfanylamino)butanoic acid
CID 54567082
2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel
CID 174611803
(2S)-4-methylsulfanyl-2-(phosphonoamino)butanoic acid
CID 140728377
(2R)-2-acetamido-4-methylsulfanylbutanoic acid
CID 6991987
(2S)-2-(carboxyamino)-4-methylsulfanylbutanoic acid;zinc
CID 174928260
(2S)-2-[(2-bromoacetyl)amino]-4-methylsulfanylbutanoic acid
CID 131851039
(2S)-2-(methoxyamino)-4-methylsulfanylbutanoic acid
CID 154085553
CID 170843089
CID 170843089
(2S)-2-(hydroxymethylamino)-4-methylsulfanylbutanoic acid;zinc
CID 174699111

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-diazohydrazinyl)-4-methylsulfanylbutanoic acid?
The IUPAC name of (2S)-2-(2-diazohydrazinyl)-4-methylsulfanylbutanoic acid (CID 87221819) is (2S)-2-(2-diazohydrazinyl)-4-methylsulfanylbutanoic acid.
What is the SMILES notation for (2S)-2-(2-diazohydrazinyl)-4-methylsulfanylbutanoic acid?
The canonical SMILES for (2S)-2-(2-diazohydrazinyl)-4-methylsulfanylbutanoic acid is CSCC[C@H](NN=[N+]=[N-])C(=O)O.
What is the InChIKey of (2S)-2-(2-diazohydrazinyl)-4-methylsulfanylbutanoic acid?
The InChIKey is FQWZLZJRZNURGX-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10N4O2S/c1-12-3-2-4(5(10)11)7-9-8-6/h4,7H,2-3H2,1H3,(H,10,11)/t4-/m0/s1.
What are the key properties of (2S)-2-(2-diazohydrazinyl)-4-methylsulfanylbutanoic acid?
(2S)-2-(2-diazohydrazinyl)-4-methylsulfanylbutanoic acid has a molecular weight of 190.23 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-diazohydrazinyl)-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 87221819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).