[[2-(hydroxyamino)-2-oxoethyl]amino]phosphonic acid;hydrochloride

C2H8ClN2O5P — CID 88686897

IUPAC[[2-(hydroxyamino)-2-oxoethyl]amino]phosphonic acid;hydrochloride
SMILESCl.O=C(CNP(=O)(O)O)NO
InChIInChI=1S/C2H7N2O5P.ClH/c5-2(4-6)1-3-10(7,8)9;/h6H,1H2,(H,4,5)(H3,3,7,8,9);1H
InChIKeyFVYGNJOBFFENCA-UHFFFAOYSA-N
MW206.52 g/mol
LogP-1.40
Rot. Bonds3

About [[2-(hydroxyamino)-2-oxoethyl]amino]phosphonic acid;hydrochloride

[[2-(hydroxyamino)-2-oxoethyl]amino]phosphonic acid;hydrochloride (PubChem CID 88686897) has the molecular formula C2H8ClN2O5P and a molecular weight of 206.52 g/mol. Its IUPAC name is [[2-(hydroxyamino)-2-oxoethyl]amino]phosphonic acid;hydrochloride.

Molecular Properties

Compound Name[[2-(hydroxyamino)-2-oxoethyl]amino]phosphonic acid;hydrochloride
PubChem CID88686897
Molecular FormulaC2H8ClN2O5P
Molecular Weight206.52 g/mol
Exact Mass205.99
IUPAC Name[[2-(hydroxyamino)-2-oxoethyl]amino]phosphonic acid;hydrochloride
SMILESCl.O=C(CNP(=O)(O)O)NO
InChIInChI=1S/C2H7N2O5P.ClH/c5-2(4-6)1-3-10(7,8)9;/h6H,1H2,(H,4,5)(H3,3,7,8,9);1H
InChIKeyFVYGNJOBFFENCA-UHFFFAOYSA-N
XLogP-1.40
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.52
LogP ≤ 5-1.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(phosphonoamino)acetic acid;phosphoric acid
CID 175394349
N-hydroxy-2-(2-methoxyethylamino)acetamide
CID 79282707
[(2-hydroxyacetyl)amino]phosphonic acid
CID 150851977
1-aminopropylphosphonic acid;2-[[2-(phosphonoamino)acetyl]amino]propanoic acid
CID 20976354
[3-(hydroxyamino)-3-oxopropyl] dihydrogen phosphate
CID 134148141
[39-(hydroxyamino)-39-oxononatriacontyl]phosphonic acid
CID 87685650
[30-(hydroxyamino)-30-oxotriacontyl]phosphonic acid
CID 87683110
[7-(hydroxyamino)-7-oxoheptyl]phosphonic acid
CID 87685964
[2-(hydroxyamino)-2-oxoethyl]-propoxyphosphinic acid
CID 175356502
[23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate
CID 87682580
[20-(hydroxyamino)-20-oxoicosyl] dihydrogen phosphate
CID 87682987
[31-(hydroxyamino)-31-oxohentriacontyl] dihydrogen phosphate
CID 87683294

Frequently Asked Questions

What is the IUPAC name of [[2-(hydroxyamino)-2-oxoethyl]amino]phosphonic acid;hydrochloride?
The IUPAC name of [[2-(hydroxyamino)-2-oxoethyl]amino]phosphonic acid;hydrochloride (CID 88686897) is [[2-(hydroxyamino)-2-oxoethyl]amino]phosphonic acid;hydrochloride.
What is the SMILES notation for [[2-(hydroxyamino)-2-oxoethyl]amino]phosphonic acid;hydrochloride?
The canonical SMILES for [[2-(hydroxyamino)-2-oxoethyl]amino]phosphonic acid;hydrochloride is Cl.O=C(CNP(=O)(O)O)NO.
What is the InChIKey of [[2-(hydroxyamino)-2-oxoethyl]amino]phosphonic acid;hydrochloride?
The InChIKey is FVYGNJOBFFENCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N2O5P.ClH/c5-2(4-6)1-3-10(7,8)9;/h6H,1H2,(H,4,5)(H3,3,7,8,9);1H.
What are the key properties of [[2-(hydroxyamino)-2-oxoethyl]amino]phosphonic acid;hydrochloride?
[[2-(hydroxyamino)-2-oxoethyl]amino]phosphonic acid;hydrochloride has a molecular weight of 206.52 g/mol, XLogP of -1.40, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(hydroxyamino)-2-oxoethyl]amino]phosphonic acid;hydrochloride is sourced from PubChem (CID 88686897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).