4-aminooxypyrazolidine-1,2-dicarboxylic acid

C5H9N3O5 — CID 90220009

IUPAC4-aminooxypyrazolidine-1,2-dicarboxylic acid
SMILESNOC1CN(C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C5H9N3O5/c6-13-3-1-7(4(9)10)8(2-3)5(11)12/h3H,1-2,6H2,(H,9,10)(H,11,12)
InChIKeyHEYYVBYLMQCAFE-UHFFFAOYSA-N
MW191.14 g/mol
LogP-0.87
Rot. Bonds1

About 4-aminooxypyrazolidine-1,2-dicarboxylic acid

4-aminooxypyrazolidine-1,2-dicarboxylic acid (PubChem CID 90220009) has the molecular formula C5H9N3O5 and a molecular weight of 191.14 g/mol. Its IUPAC name is 4-aminooxypyrazolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-aminooxypyrazolidine-1,2-dicarboxylic acid
PubChem CID90220009
Molecular FormulaC5H9N3O5
Molecular Weight191.14 g/mol
Exact Mass191.05
IUPAC Name4-aminooxypyrazolidine-1,2-dicarboxylic acid
SMILESNOC1CN(C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C5H9N3O5/c6-13-3-1-7(4(9)10)8(2-3)5(11)12/h3H,1-2,6H2,(H,9,10)(H,11,12)
InChIKeyHEYYVBYLMQCAFE-UHFFFAOYSA-N
XLogP-0.87
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 5-0.87
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

6-aminooxy-1,4-oxazepane-4-carboxylic acid
CID 90220300
(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid
CID 134211031
3-aminoazetidine-1-carboxylic acid;hydrochloride
CID 126721297
3-acetyloxyazetidine-1-carboxylic acid
CID 66685797
3-carbamoylazetidine-1-carboxylic acid
CID 22731075
2-aminoaziridine-1-carboxylic acid
CID 154148433
(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid
CID 20745982
3-fluoropyrrolidine-1-carboxylic acid
CID 21071719
4-aminooxycarbonylpiperidine-1-carboxylic acid
CID 150077485
4-hydroxy-2-phenylmethoxycarbonylpyrazolidine-1-carboxylic acid
CID 142684501
4-aminooxy-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
CID 66870327
(1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 170429882

Frequently Asked Questions

What is the IUPAC name of 4-aminooxypyrazolidine-1,2-dicarboxylic acid?
The IUPAC name of 4-aminooxypyrazolidine-1,2-dicarboxylic acid (CID 90220009) is 4-aminooxypyrazolidine-1,2-dicarboxylic acid.
What is the SMILES notation for 4-aminooxypyrazolidine-1,2-dicarboxylic acid?
The canonical SMILES for 4-aminooxypyrazolidine-1,2-dicarboxylic acid is NOC1CN(C(=O)O)N(C(=O)O)C1.
What is the InChIKey of 4-aminooxypyrazolidine-1,2-dicarboxylic acid?
The InChIKey is HEYYVBYLMQCAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O5/c6-13-3-1-7(4(9)10)8(2-3)5(11)12/h3H,1-2,6H2,(H,9,10)(H,11,12).
What are the key properties of 4-aminooxypyrazolidine-1,2-dicarboxylic acid?
4-aminooxypyrazolidine-1,2-dicarboxylic acid has a molecular weight of 191.14 g/mol, XLogP of -0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminooxypyrazolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 90220009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).