(2-amino-2-hydroxyiminoethyl) dihydrogen phosphate

C2H7N2O5P — CID 71402250

IUPAC(2-amino-2-hydroxyiminoethyl) dihydrogen phosphate
SMILESNC(COP(=O)(O)O)=NO
InChIInChI=1S/C2H7N2O5P/c3-2(4-5)1-9-10(6,7)8/h5H,1H2,(H2,3,4)(H2,6,7,8)
InChIKeyRGTWPXHBFMRQRP-UHFFFAOYSA-N
MW170.06 g/mol
LogP-1.16
Rot. Bonds3

About (2-amino-2-hydroxyiminoethyl) dihydrogen phosphate

(2-amino-2-hydroxyiminoethyl) dihydrogen phosphate (PubChem CID 71402250) has the molecular formula C2H7N2O5P and a molecular weight of 170.06 g/mol. Its IUPAC name is (2-amino-2-hydroxyiminoethyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-amino-2-hydroxyiminoethyl) dihydrogen phosphate
PubChem CID71402250
Molecular FormulaC2H7N2O5P
Molecular Weight170.06 g/mol
Exact Mass170.01
IUPAC Name(2-amino-2-hydroxyiminoethyl) dihydrogen phosphate
SMILESNC(COP(=O)(O)O)=NO
InChIInChI=1S/C2H7N2O5P/c3-2(4-5)1-9-10(6,7)8/h5H,1H2,(H2,3,4)(H2,6,7,8)
InChIKeyRGTWPXHBFMRQRP-UHFFFAOYSA-N
XLogP-1.16
TPSA125.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.06
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

guanidine;hydroxymethyl dihydrogen phosphate
CID 87849395
2-phosphonooxyacetate
CID 20849060
2-ethoxy-N'-hydroxyethanimidamide
CID 10582776
alumane;ethyl dihydrogen phosphate
CID 173113989
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
CID 87495286
CID 87495286
N'-hydroxy-2-(2-methylbutan-2-yloxy)ethanimidamide
CID 43128403
(2-amino-2-hydroxyiminoethyl)-hexoxyphosphinic acid
CID 167433583
2-oxobutyl dihydrogen phosphate
CID 57029304
propyl dihydrogen phosphate;urea
CID 88818408
ethyl dihydrogen phosphate;trimethyl phosphate
CID 160912301

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-hydroxyiminoethyl) dihydrogen phosphate?
The IUPAC name of (2-amino-2-hydroxyiminoethyl) dihydrogen phosphate (CID 71402250) is (2-amino-2-hydroxyiminoethyl) dihydrogen phosphate.
What is the SMILES notation for (2-amino-2-hydroxyiminoethyl) dihydrogen phosphate?
The canonical SMILES for (2-amino-2-hydroxyiminoethyl) dihydrogen phosphate is NC(COP(=O)(O)O)=NO.
What is the InChIKey of (2-amino-2-hydroxyiminoethyl) dihydrogen phosphate?
The InChIKey is RGTWPXHBFMRQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N2O5P/c3-2(4-5)1-9-10(6,7)8/h5H,1H2,(H2,3,4)(H2,6,7,8).
What are the key properties of (2-amino-2-hydroxyiminoethyl) dihydrogen phosphate?
(2-amino-2-hydroxyiminoethyl) dihydrogen phosphate has a molecular weight of 170.06 g/mol, XLogP of -1.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-hydroxyiminoethyl) dihydrogen phosphate is sourced from PubChem (CID 71402250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).