(1-hydroxyethylamino) dihydrogen phosphate

C2H8NO5P — CID 19985437

IUPAC(1-hydroxyethylamino) dihydrogen phosphate
SMILESCC(O)NOP(=O)(O)O
InChIInChI=1S/C2H8NO5P/c1-2(4)3-8-9(5,6)7/h2-4H,1H3,(H2,5,6,7)
InChIKeyFJQIUSKWAXWDQT-UHFFFAOYSA-N
MW157.06 g/mol
LogP-1.06
Rot. Bonds3

About (1-hydroxyethylamino) dihydrogen phosphate

(1-hydroxyethylamino) dihydrogen phosphate (PubChem CID 19985437) has the molecular formula C2H8NO5P and a molecular weight of 157.06 g/mol. Its IUPAC name is (1-hydroxyethylamino) dihydrogen phosphate.

Molecular Properties

Compound Name(1-hydroxyethylamino) dihydrogen phosphate
PubChem CID19985437
Molecular FormulaC2H8NO5P
Molecular Weight157.06 g/mol
Exact Mass157.01
IUPAC Name(1-hydroxyethylamino) dihydrogen phosphate
SMILESCC(O)NOP(=O)(O)O
InChIInChI=1S/C2H8NO5P/c1-2(4)3-8-9(5,6)7/h2-4H,1H3,(H2,5,6,7)
InChIKeyFJQIUSKWAXWDQT-UHFFFAOYSA-N
XLogP-1.06
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.06
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-dihydroxypropan-2-yl dihydrogen phosphate
CID 175328416
1-phosphonooxyethyl dihydrogen phosphate
CID 14930911
(phosphanylamino) dihydrogen phosphate
CID 151875786
hydroxy dihydrogen phosphate;propane-1,2-diol
CID 174923679
1,3-diaminourea;propan-2-yl dihydrogen phosphate
CID 162135327
1-hydroxyethyl dihydrogen phosphate;urea
CID 21118622
phosphono (2S)-2-(methoxyamino)propanoate
CID 21349700
(carbamoylamino) dihydrogen phosphate
CID 57166645
potassium;hydride;propan-2-yl dihydrogen phosphate
CID 173374044
magnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate
CID 175158415
dihydrogen phosphate;tetramethylphosphanium
CID 71359633
phosphoric acid;2-(propan-2-yldisulfanyl)propane
CID 174843225

Frequently Asked Questions

What is the IUPAC name of (1-hydroxyethylamino) dihydrogen phosphate?
The IUPAC name of (1-hydroxyethylamino) dihydrogen phosphate (CID 19985437) is (1-hydroxyethylamino) dihydrogen phosphate.
What is the SMILES notation for (1-hydroxyethylamino) dihydrogen phosphate?
The canonical SMILES for (1-hydroxyethylamino) dihydrogen phosphate is CC(O)NOP(=O)(O)O.
What is the InChIKey of (1-hydroxyethylamino) dihydrogen phosphate?
The InChIKey is FJQIUSKWAXWDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8NO5P/c1-2(4)3-8-9(5,6)7/h2-4H,1H3,(H2,5,6,7).
What are the key properties of (1-hydroxyethylamino) dihydrogen phosphate?
(1-hydroxyethylamino) dihydrogen phosphate has a molecular weight of 157.06 g/mol, XLogP of -1.06, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxyethylamino) dihydrogen phosphate is sourced from PubChem (CID 19985437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).