[1-hydroxyethyl(methyl)amino]phosphonic acid

C3H10NO4P — CID 87959522

IUPAC[1-hydroxyethyl(methyl)amino]phosphonic acid
SMILESCC(O)N(C)P(=O)(O)O
InChIInChI=1S/C3H10NO4P/c1-3(5)4(2)9(6,7)8/h3,5H,1-2H3,(H2,6,7,8)
InChIKeyYEMXQWIUKVCMGY-UHFFFAOYSA-N
MW155.09 g/mol
LogP-0.65
Rot. Bonds2

About [1-hydroxyethyl(methyl)amino]phosphonic acid

[1-hydroxyethyl(methyl)amino]phosphonic acid (PubChem CID 87959522) has the molecular formula C3H10NO4P and a molecular weight of 155.09 g/mol. Its IUPAC name is [1-hydroxyethyl(methyl)amino]phosphonic acid.

Molecular Properties

Compound Name[1-hydroxyethyl(methyl)amino]phosphonic acid
PubChem CID87959522
Molecular FormulaC3H10NO4P
Molecular Weight155.09 g/mol
Exact Mass155.03
IUPAC Name[1-hydroxyethyl(methyl)amino]phosphonic acid
SMILESCC(O)N(C)P(=O)(O)O
InChIInChI=1S/C3H10NO4P/c1-3(5)4(2)9(6,7)8/h3,5H,1-2H3,(H2,6,7,8)
InChIKeyYEMXQWIUKVCMGY-UHFFFAOYSA-N
XLogP-0.65
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.09
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(dimethylamino)ethanol
CID 93477761
(1R)-1-(dimethylamino)ethanol
CID 93477762
2-[methyl(phosphono)amino]butanoic acid
CID 175198290
dihydrogen phosphate;tetramethylphosphanium
CID 71359633
bis(dimethylphosphinic acid);platinum
CID 58918492
dimethylphosphinic acid;ethene
CID 159258868
N-diaminophosphoryl-N-methylpropan-2-amine
CID 56612317
1-[1-hydroxyethyl(methyl)amino]ethanol;hydrate
CID 173435253
N,N-dimethyl-propan-2-yloxyphosphonamidic acid
CID 14117490
N-[1-[(1-dimethylphosphoryl-1-hydroxypropan-2-yl)-methylamino]ethyl]-N-hydroxyacetamide
CID 59082833
1-(dimethylamino)ethanol;2-hydroxypropanoic acid
CID 21124980
N-(1-hydroxyethyl)-N-methylnitrous amide
CID 59097414

Frequently Asked Questions

What is the IUPAC name of [1-hydroxyethyl(methyl)amino]phosphonic acid?
The IUPAC name of [1-hydroxyethyl(methyl)amino]phosphonic acid (CID 87959522) is [1-hydroxyethyl(methyl)amino]phosphonic acid.
What is the SMILES notation for [1-hydroxyethyl(methyl)amino]phosphonic acid?
The canonical SMILES for [1-hydroxyethyl(methyl)amino]phosphonic acid is CC(O)N(C)P(=O)(O)O.
What is the InChIKey of [1-hydroxyethyl(methyl)amino]phosphonic acid?
The InChIKey is YEMXQWIUKVCMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO4P/c1-3(5)4(2)9(6,7)8/h3,5H,1-2H3,(H2,6,7,8).
What are the key properties of [1-hydroxyethyl(methyl)amino]phosphonic acid?
[1-hydroxyethyl(methyl)amino]phosphonic acid has a molecular weight of 155.09 g/mol, XLogP of -0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxyethyl(methyl)amino]phosphonic acid is sourced from PubChem (CID 87959522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).