hydrazine;2-oxo-2-propoxyacetate

C5H11N2O4- — CID 22449370

IUPAChydrazine;2-oxo-2-propoxyacetate
SMILESCCCOC(=O)C(=O)[O-].NN
InChIInChI=1S/C5H8O4.H4N2/c1-2-3-9-5(8)4(6)7;1-2/h2-3H2,1H3,(H,6,7);1-2H2/p-1
InChIKeyYPHNSMTZBLKGAF-UHFFFAOYSA-M
MW163.15 g/mol
LogP-2.49
Rot. Bonds2

About hydrazine;2-oxo-2-propoxyacetate

hydrazine;2-oxo-2-propoxyacetate (PubChem CID 22449370) has the molecular formula C5H11N2O4- and a molecular weight of 163.15 g/mol. Its IUPAC name is hydrazine;2-oxo-2-propoxyacetate.

Molecular Properties

Compound Namehydrazine;2-oxo-2-propoxyacetate
PubChem CID22449370
Molecular FormulaC5H11N2O4-
Molecular Weight163.15 g/mol
Exact Mass163.07
IUPAC Namehydrazine;2-oxo-2-propoxyacetate
SMILESCCCOC(=O)C(=O)[O-].NN
InChIInChI=1S/C5H8O4.H4N2/c1-2-3-9-5(8)4(6)7;1-2/h2-3H2,1H3,(H,6,7);1-2H2/p-1
InChIKeyYPHNSMTZBLKGAF-UHFFFAOYSA-M
XLogP-2.49
TPSA118.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 5-2.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

potassium 2-nonoxy-2-oxoacetate
CID 102118471
calcium bis(2-hexadecoxy-2-oxoacetate)
CID 161005993
potassium 2-ethoxy-2-oxoacetate
CID 23678856
magnesium propyl carbonate
CID 22154995
1-O-ethyl 2-O-propyl oxalate
CID 6420312
calcium propyl carbonate
CID 158672692
azanium 2-ethoxy-2-oxoacetate
CID 141289359
potassium;dipropyl 2-oxobutanedioate;hydride
CID 173344043
butane;3-oxo-3-propoxypropanoate
CID 22486022
sodium propyl 2,4-dioxopentanoate
CID 91996636
potassium propoxymethanethioate
CID 163623906
3-oxo-3-propoxypropanoate
CID 71358122

Frequently Asked Questions

What is the IUPAC name of hydrazine;2-oxo-2-propoxyacetate?
The IUPAC name of hydrazine;2-oxo-2-propoxyacetate (CID 22449370) is hydrazine;2-oxo-2-propoxyacetate.
What is the SMILES notation for hydrazine;2-oxo-2-propoxyacetate?
The canonical SMILES for hydrazine;2-oxo-2-propoxyacetate is CCCOC(=O)C(=O)[O-].NN.
What is the InChIKey of hydrazine;2-oxo-2-propoxyacetate?
The InChIKey is YPHNSMTZBLKGAF-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8O4.H4N2/c1-2-3-9-5(8)4(6)7;1-2/h2-3H2,1H3,(H,6,7);1-2H2/p-1.
What are the key properties of hydrazine;2-oxo-2-propoxyacetate?
hydrazine;2-oxo-2-propoxyacetate has a molecular weight of 163.15 g/mol, XLogP of -2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;2-oxo-2-propoxyacetate is sourced from PubChem (CID 22449370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).