2-aminoethyl 2-methoxyethyl hydrogen phosphate

C5H14NO5P — CID 59087649

IUPAC2-aminoethyl 2-methoxyethyl hydrogen phosphate
SMILESCOCCOP(=O)(O)OCCN
InChIInChI=1S/C5H14NO5P/c1-9-4-5-11-12(7,8)10-3-2-6/h2-6H2,1H3,(H,7,8)
InChIKeyFUNCSYUFTOMGHM-UHFFFAOYSA-N
MW199.14 g/mol
LogP-0.27
Rot. Bonds7

About 2-aminoethyl 2-methoxyethyl hydrogen phosphate

2-aminoethyl 2-methoxyethyl hydrogen phosphate (PubChem CID 59087649) has the molecular formula C5H14NO5P and a molecular weight of 199.14 g/mol. Its IUPAC name is 2-aminoethyl 2-methoxyethyl hydrogen phosphate.

Molecular Properties

Compound Name2-aminoethyl 2-methoxyethyl hydrogen phosphate
PubChem CID59087649
Molecular FormulaC5H14NO5P
Molecular Weight199.14 g/mol
Exact Mass199.06
IUPAC Name2-aminoethyl 2-methoxyethyl hydrogen phosphate
SMILESCOCCOP(=O)(O)OCCN
InChIInChI=1S/C5H14NO5P/c1-9-4-5-11-12(7,8)10-3-2-6/h2-6H2,1H3,(H,7,8)
InChIKeyFUNCSYUFTOMGHM-UHFFFAOYSA-N
XLogP-0.27
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate
CID 126647188
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate
CID 129040767
2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl icosanoate
CID 164513427
2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate
CID 58743767
[hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate
CID 151699028
acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper
CID 139211800
[2-aminoethoxy(hydroxy)phosphoryl] hydroxymethyl hydrogen phosphate
CID 129027526
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] propanoate
CID 137319661
2-aminoethoxyphosphonamidic acid
CID 139489144
2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate
CID 87720487
CID 174640608
CID 174640608
(4-amino-4-oxobutyl) methyl hydrogen phosphate
CID 89393269

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2-methoxyethyl hydrogen phosphate?
The IUPAC name of 2-aminoethyl 2-methoxyethyl hydrogen phosphate (CID 59087649) is 2-aminoethyl 2-methoxyethyl hydrogen phosphate.
What is the SMILES notation for 2-aminoethyl 2-methoxyethyl hydrogen phosphate?
The canonical SMILES for 2-aminoethyl 2-methoxyethyl hydrogen phosphate is COCCOP(=O)(O)OCCN.
What is the InChIKey of 2-aminoethyl 2-methoxyethyl hydrogen phosphate?
The InChIKey is FUNCSYUFTOMGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO5P/c1-9-4-5-11-12(7,8)10-3-2-6/h2-6H2,1H3,(H,7,8).
What are the key properties of 2-aminoethyl 2-methoxyethyl hydrogen phosphate?
2-aminoethyl 2-methoxyethyl hydrogen phosphate has a molecular weight of 199.14 g/mol, XLogP of -0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2-methoxyethyl hydrogen phosphate is sourced from PubChem (CID 59087649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).