2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel

C5H11NNiO3S — CID 174611803

IUPAC2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel
SMILESCSCCC(NO)C(=O)O.[Ni]
InChIInChI=1S/C5H11NO3S.Ni/c1-10-3-2-4(6-9)5(7)8;/h4,6,9H,2-3H2,1H3,(H,7,8);
InChIKeyDTZIZFDSNYSXNP-UHFFFAOYSA-N
MW223.91 g/mol
LogP0.17
Rot. Bonds5

About 2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel

2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel (PubChem CID 174611803) has the molecular formula C5H11NNiO3S and a molecular weight of 223.91 g/mol. Its IUPAC name is 2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel.

Molecular Properties

Compound Name2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel
PubChem CID174611803
Molecular FormulaC5H11NNiO3S
Molecular Weight223.91 g/mol
Exact Mass222.98
IUPAC Name2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel
SMILESCSCCC(NO)C(=O)O.[Ni]
InChIInChI=1S/C5H11NO3S.Ni/c1-10-3-2-4(6-9)5(7)8;/h4,6,9H,2-3H2,1H3,(H,7,8);
InChIKeyDTZIZFDSNYSXNP-UHFFFAOYSA-N
XLogP0.17
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.91
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tricalcium;2-(hydroxyamino)-4-methylsulfanylbutanoic acid;diphosphate
CID 175160326
(2R)-2-acetamido-4-methylsulfanylbutanoic acid
CID 6991987
4-methylsulfanyl-2-(oxidoamino)butanoic acid
CID 22493019
(2S)-2-(methylamino)-4-methylsulfanylbutanoic acid
CID 6451891
CID 170843089
CID 170843089
(2S)-4-methylsulfanyl-2-(methylsulfanylamino)butanoic acid
CID 54567082
(2S)-2-[(2-hydroxyacetyl)amino]-4-methylsulfanylbutanoic acid
CID 162512834
(2S)-2-(carboxyamino)-4-methylsulfanylbutanoic acid;zinc
CID 174928260
magnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate)
CID 141025880
(2R)-2-[[6-[[(1R)-1-carboxy-3-methylsulfanylpropyl]amino]-6-oxohexanoyl]amino]-4-methylsulfanylbutanoic acid
CID 40571539
(2S)-2-[(2-bromoacetyl)amino]-4-methylsulfanylbutanoic acid
CID 131851039
(2S)-2-(methoxyamino)-4-methylsulfanylbutanoic acid
CID 154085553

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel?
The IUPAC name of 2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel (CID 174611803) is 2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel.
What is the SMILES notation for 2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel?
The canonical SMILES for 2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel is CSCCC(NO)C(=O)O.[Ni].
What is the InChIKey of 2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel?
The InChIKey is DTZIZFDSNYSXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S.Ni/c1-10-3-2-4(6-9)5(7)8;/h4,6,9H,2-3H2,1H3,(H,7,8);.
What are the key properties of 2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel?
2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel has a molecular weight of 223.91 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel is sourced from PubChem (CID 174611803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).