1-[(3-phosphanyloxetan-3-yl)methoxyamino]oxyethyl 2-hydroxyprop-2-enoate

C9H16NO6P — CID 163745307

IUPAC1-[(3-phosphanyloxetan-3-yl)methoxyamino]oxyethyl 2-hydroxyprop-2-enoate
SMILESC=C(O)C(=O)OC(C)ONOCC1(P)COC1
InChIInChI=1S/C9H16NO6P/c1-6(11)8(12)15-7(2)16-10-14-5-9(17)3-13-4-9/h7,10-11H,1,3-5,17H2,2H3
InChIKeyLLINUFWGSPIPGG-UHFFFAOYSA-N
MW265.20 g/mol
LogP0.04
Rot. Bonds7

About 1-[(3-phosphanyloxetan-3-yl)methoxyamino]oxyethyl 2-hydroxyprop-2-enoate

1-[(3-phosphanyloxetan-3-yl)methoxyamino]oxyethyl 2-hydroxyprop-2-enoate (PubChem CID 163745307) has the molecular formula C9H16NO6P and a molecular weight of 265.20 g/mol. Its IUPAC name is 1-[(3-phosphanyloxetan-3-yl)methoxyamino]oxyethyl 2-hydroxyprop-2-enoate.

Molecular Properties

Compound Name1-[(3-phosphanyloxetan-3-yl)methoxyamino]oxyethyl 2-hydroxyprop-2-enoate
PubChem CID163745307
Molecular FormulaC9H16NO6P
Molecular Weight265.20 g/mol
Exact Mass265.07
IUPAC Name1-[(3-phosphanyloxetan-3-yl)methoxyamino]oxyethyl 2-hydroxyprop-2-enoate
SMILESC=C(O)C(=O)OC(C)ONOCC1(P)COC1
InChIInChI=1S/C9H16NO6P/c1-6(11)8(12)15-7(2)16-10-14-5-9(17)3-13-4-9/h7,10-11H,1,3-5,17H2,2H3
InChIKeyLLINUFWGSPIPGG-UHFFFAOYSA-N
XLogP0.04
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-phosphanyloxetan-3-yl)methoxyamino]oxyethyl 2-hydroxyprop-2-enoate?
The IUPAC name of 1-[(3-phosphanyloxetan-3-yl)methoxyamino]oxyethyl 2-hydroxyprop-2-enoate (CID 163745307) is 1-[(3-phosphanyloxetan-3-yl)methoxyamino]oxyethyl 2-hydroxyprop-2-enoate.
What is the SMILES notation for 1-[(3-phosphanyloxetan-3-yl)methoxyamino]oxyethyl 2-hydroxyprop-2-enoate?
The canonical SMILES for 1-[(3-phosphanyloxetan-3-yl)methoxyamino]oxyethyl 2-hydroxyprop-2-enoate is C=C(O)C(=O)OC(C)ONOCC1(P)COC1.
What is the InChIKey of 1-[(3-phosphanyloxetan-3-yl)methoxyamino]oxyethyl 2-hydroxyprop-2-enoate?
The InChIKey is LLINUFWGSPIPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO6P/c1-6(11)8(12)15-7(2)16-10-14-5-9(17)3-13-4-9/h7,10-11H,1,3-5,17H2,2H3.
What are the key properties of 1-[(3-phosphanyloxetan-3-yl)methoxyamino]oxyethyl 2-hydroxyprop-2-enoate?
1-[(3-phosphanyloxetan-3-yl)methoxyamino]oxyethyl 2-hydroxyprop-2-enoate has a molecular weight of 265.20 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phosphanyloxetan-3-yl)methoxyamino]oxyethyl 2-hydroxyprop-2-enoate is sourced from PubChem (CID 163745307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).