2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate

C8H18NO6P — CID 126647188

IUPAC2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCOP(=O)(O)OCCN
InChIInChI=1S/C8H18NO6P/c1-7(2)8(10)13-5-6-15-16(11,12)14-4-3-9/h7H,3-6,9H2,1-2H3,(H,11,12)
InChIKeyBSBZZYVKSSAPNR-UHFFFAOYSA-N
MW255.21 g/mol
LogP0.28
Rot. Bonds8

About 2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate

2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate (PubChem CID 126647188) has the molecular formula C8H18NO6P and a molecular weight of 255.21 g/mol. Its IUPAC name is 2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate
PubChem CID126647188
Molecular FormulaC8H18NO6P
Molecular Weight255.21 g/mol
Exact Mass255.09
IUPAC Name2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCOP(=O)(O)OCCN
InChIInChI=1S/C8H18NO6P/c1-7(2)8(10)13-5-6-15-16(11,12)14-4-3-9/h7H,3-6,9H2,1-2H3,(H,11,12)
InChIKeyBSBZZYVKSSAPNR-UHFFFAOYSA-N
XLogP0.28
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-aminoethyl 2-methoxyethyl hydrogen phosphate
CID 59087649
2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl icosanoate
CID 164513427
2-[2-[3-(2-aminoethylsulfanyl)-2-methylpropanoyl]oxyethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 57386108
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] propanoate
CID 137319661
2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 5-hydroperoxyhept-3-enoate
CID 159836230
8-aminooctyl 2-methylpropanoate
CID 88886116
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate
CID 129040767
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-methylpropyl] octadecanoate
CID 126575031
2-(2-iodopropanoyloxy)ethyl 2-methylpropanoate
CID 166970068
bis(2-but-2-en-2-yloxyethyl) hydrogen phosphate
CID 171482069
acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper
CID 139211800
[2-aminoethoxy(hydroxy)phosphoryl] hydroxymethyl hydrogen phosphate
CID 129027526

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate?
The IUPAC name of 2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate (CID 126647188) is 2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate.
What is the SMILES notation for 2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate?
The canonical SMILES for 2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate is CC(C)C(=O)OCCOP(=O)(O)OCCN.
What is the InChIKey of 2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate?
The InChIKey is BSBZZYVKSSAPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO6P/c1-7(2)8(10)13-5-6-15-16(11,12)14-4-3-9/h7H,3-6,9H2,1-2H3,(H,11,12).
What are the key properties of 2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate?
2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate has a molecular weight of 255.21 g/mol, XLogP of 0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate is sourced from PubChem (CID 126647188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).