(2,2-dihydroxyethylamino) methyl hydrogen phosphate

C3H10NO6P — CID 175059276

IUPAC(2,2-dihydroxyethylamino) methyl hydrogen phosphate
SMILESCOP(=O)(O)ONCC(O)O
InChIInChI=1S/C3H10NO6P/c1-9-11(7,8)10-4-2-3(5)6/h3-6H,2H2,1H3,(H,7,8)
InChIKeyYNLBWOFUHBZLTJ-UHFFFAOYSA-N
MW187.09 g/mol
LogP-1.43
Rot. Bonds5

About (2,2-dihydroxyethylamino) methyl hydrogen phosphate

(2,2-dihydroxyethylamino) methyl hydrogen phosphate (PubChem CID 175059276) has the molecular formula C3H10NO6P and a molecular weight of 187.09 g/mol. Its IUPAC name is (2,2-dihydroxyethylamino) methyl hydrogen phosphate.

Molecular Properties

Compound Name(2,2-dihydroxyethylamino) methyl hydrogen phosphate
PubChem CID175059276
Molecular FormulaC3H10NO6P
Molecular Weight187.09 g/mol
Exact Mass187.02
IUPAC Name(2,2-dihydroxyethylamino) methyl hydrogen phosphate
SMILESCOP(=O)(O)ONCC(O)O
InChIInChI=1S/C3H10NO6P/c1-9-11(7,8)10-4-2-3(5)6/h3-6H,2H2,1H3,(H,7,8)
InChIKeyYNLBWOFUHBZLTJ-UHFFFAOYSA-N
XLogP-1.43
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.09
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (2,2-dihydroxyethylamino) methyl hydrogen phosphate?
The IUPAC name of (2,2-dihydroxyethylamino) methyl hydrogen phosphate (CID 175059276) is (2,2-dihydroxyethylamino) methyl hydrogen phosphate.
What is the SMILES notation for (2,2-dihydroxyethylamino) methyl hydrogen phosphate?
The canonical SMILES for (2,2-dihydroxyethylamino) methyl hydrogen phosphate is COP(=O)(O)ONCC(O)O.
What is the InChIKey of (2,2-dihydroxyethylamino) methyl hydrogen phosphate?
The InChIKey is YNLBWOFUHBZLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO6P/c1-9-11(7,8)10-4-2-3(5)6/h3-6H,2H2,1H3,(H,7,8).
What are the key properties of (2,2-dihydroxyethylamino) methyl hydrogen phosphate?
(2,2-dihydroxyethylamino) methyl hydrogen phosphate has a molecular weight of 187.09 g/mol, XLogP of -1.43, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dihydroxyethylamino) methyl hydrogen phosphate is sourced from PubChem (CID 175059276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).