4-hydrazinyloxane-4-carboxylic acid

C6H12N2O3 — CID 154814519

IUPAC4-hydrazinyloxane-4-carboxylic acid
SMILESNNC1(C(=O)O)CCOCC1
InChIInChI=1S/C6H12N2O3/c7-8-6(5(9)10)1-3-11-4-2-6/h8H,1-4,7H2,(H,9,10)
InChIKeyWZCINQXMFJBJST-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.92
Rot. Bonds2

About 4-hydrazinyloxane-4-carboxylic acid

4-hydrazinyloxane-4-carboxylic acid (PubChem CID 154814519) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 4-hydrazinyloxane-4-carboxylic acid.

Molecular Properties

Compound Name4-hydrazinyloxane-4-carboxylic acid
PubChem CID154814519
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name4-hydrazinyloxane-4-carboxylic acid
SMILESNNC1(C(=O)O)CCOCC1
InChIInChI=1S/C6H12N2O3/c7-8-6(5(9)10)1-3-11-4-2-6/h8H,1-4,7H2,(H,9,10)
InChIKeyWZCINQXMFJBJST-UHFFFAOYSA-N
XLogP-0.92
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethylamino)oxane-4-carboxylic acid
CID 82238938
4-[(2-amino-2-oxoethyl)amino]oxane-4-carboxylic acid
CID 82238247
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
4-(2,2-dimethylpropanoylamino)oxane-4-carboxylic acid
CID 115291564
4-(4-aminobutanoylamino)oxane-4-carboxylic acid
CID 115292423
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid
CID 113311788
4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid
CID 103162101
4-(2,2,2-trifluoroethoxycarbonylamino)oxane-4-carboxylic acid
CID 115291874
4-(4-aminopentanoylamino)oxane-4-carboxylic acid
CID 115292369
4-[(2-methylsulfanylacetyl)amino]oxane-4-carboxylic acid
CID 115291747
4-(3,3,3-trifluoropropanoylamino)oxane-4-carboxylic acid
CID 71222479
4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid
CID 114991085

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyloxane-4-carboxylic acid?
The IUPAC name of 4-hydrazinyloxane-4-carboxylic acid (CID 154814519) is 4-hydrazinyloxane-4-carboxylic acid.
What is the SMILES notation for 4-hydrazinyloxane-4-carboxylic acid?
The canonical SMILES for 4-hydrazinyloxane-4-carboxylic acid is NNC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-hydrazinyloxane-4-carboxylic acid?
The InChIKey is WZCINQXMFJBJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c7-8-6(5(9)10)1-3-11-4-2-6/h8H,1-4,7H2,(H,9,10).
What are the key properties of 4-hydrazinyloxane-4-carboxylic acid?
4-hydrazinyloxane-4-carboxylic acid has a molecular weight of 160.17 g/mol, XLogP of -0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyloxane-4-carboxylic acid is sourced from PubChem (CID 154814519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).