(2R)-1-hydroxy-1-oxobutane-2-diazonium

C4H7N2O2+ — CID 87372653

IUPAC(2R)-1-hydroxy-1-oxobutane-2-diazonium
SMILESCC[C@@H]([N+]#N)C(=O)O
InChIInChI=1S/C4H6N2O2/c1-2-3(6-5)4(7)8/h3H,2H2,1H3/p+1/t3-/m1/s1
InChIKeyRYMMQTBNTRQDQY-GSVOUGTGSA-O
MW115.11 g/mol
LogP0.70
Rot. Bonds2

About (2R)-1-hydroxy-1-oxobutane-2-diazonium

(2R)-1-hydroxy-1-oxobutane-2-diazonium (PubChem CID 87372653) has the molecular formula C4H7N2O2+ and a molecular weight of 115.11 g/mol. Its IUPAC name is (2R)-1-hydroxy-1-oxobutane-2-diazonium.

Molecular Properties

Compound Name(2R)-1-hydroxy-1-oxobutane-2-diazonium
PubChem CID87372653
Molecular FormulaC4H7N2O2+
Molecular Weight115.11 g/mol
Exact Mass115.05
IUPAC Name(2R)-1-hydroxy-1-oxobutane-2-diazonium
SMILESCC[C@@H]([N+]#N)C(=O)O
InChIInChI=1S/C4H6N2O2/c1-2-3(6-5)4(7)8/h3H,2H2,1H3/p+1/t3-/m1/s1
InChIKeyRYMMQTBNTRQDQY-GSVOUGTGSA-O
XLogP0.70
TPSA65.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 87086045
CID 87086045
ethane;2-ethylbutanoic acid
CID 142229949
CID 123134376
CID 123134376
iron;2-methylbutanoic acid
CID 175205801
methane;(2S)-2-methylbutanoic acid
CID 159302978
ethane;2-methylbutanoic acid
CID 87621166
magnesium;bis(2-ethylbutanoic acid);hydride
CID 174895693
CID 88513173
CID 88513173
bis(2-methylbutanoic acid);nickel
CID 170549792
2-bromobutanoic acid;hydrochloride
CID 87779370
(2R)-2-(hydroxymethyl)butanoic acid
CID 11586303
(2S)-2-ethylbutanedioic acid
CID 6997245

Frequently Asked Questions

What is the IUPAC name of (2R)-1-hydroxy-1-oxobutane-2-diazonium?
The IUPAC name of (2R)-1-hydroxy-1-oxobutane-2-diazonium (CID 87372653) is (2R)-1-hydroxy-1-oxobutane-2-diazonium.
What is the SMILES notation for (2R)-1-hydroxy-1-oxobutane-2-diazonium?
The canonical SMILES for (2R)-1-hydroxy-1-oxobutane-2-diazonium is CC[C@@H]([N+]#N)C(=O)O.
What is the InChIKey of (2R)-1-hydroxy-1-oxobutane-2-diazonium?
The InChIKey is RYMMQTBNTRQDQY-GSVOUGTGSA-O. The full InChI is InChI=1S/C4H6N2O2/c1-2-3(6-5)4(7)8/h3H,2H2,1H3/p+1/t3-/m1/s1.
What are the key properties of (2R)-1-hydroxy-1-oxobutane-2-diazonium?
(2R)-1-hydroxy-1-oxobutane-2-diazonium has a molecular weight of 115.11 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-hydroxy-1-oxobutane-2-diazonium is sourced from PubChem (CID 87372653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).