methyl 2-pyrrolidin-1-ylethyl hydrogen phosphate

C7H16NO4P — CID 154067458

IUPACmethyl 2-pyrrolidin-1-ylethyl hydrogen phosphate
SMILESCOP(=O)(O)OCCN1CCCC1
InChIInChI=1S/C7H16NO4P/c1-11-13(9,10)12-7-6-8-4-2-3-5-8/h2-7H2,1H3,(H,9,10)
InChIKeyMEPUMKJCWQABJY-UHFFFAOYSA-N
MW209.18 g/mol
LogP0.85
Rot. Bonds5

About methyl 2-pyrrolidin-1-ylethyl hydrogen phosphate

methyl 2-pyrrolidin-1-ylethyl hydrogen phosphate (PubChem CID 154067458) has the molecular formula C7H16NO4P and a molecular weight of 209.18 g/mol. Its IUPAC name is methyl 2-pyrrolidin-1-ylethyl hydrogen phosphate.

Molecular Properties

Compound Namemethyl 2-pyrrolidin-1-ylethyl hydrogen phosphate
PubChem CID154067458
Molecular FormulaC7H16NO4P
Molecular Weight209.18 g/mol
Exact Mass209.08
IUPAC Namemethyl 2-pyrrolidin-1-ylethyl hydrogen phosphate
SMILESCOP(=O)(O)OCCN1CCCC1
InChIInChI=1S/C7H16NO4P/c1-11-13(9,10)12-7-6-8-4-2-3-5-8/h2-7H2,1H3,(H,9,10)
InChIKeyMEPUMKJCWQABJY-UHFFFAOYSA-N
XLogP0.85
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl 2-pyrrolidin-1-ylethyl hydrogen phosphate
CID 23641768
1-(2-methoxyethyl)azocane
CID 47014834
but-2-enedioic acid;1-(2-methoxyethyl)pyrrolidine
CID 71419746
methoxymethane;2-pyrrolidin-1-ylethanol
CID 142059876
2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate
CID 58743767
3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium
CID 170122908
2-[hydroxy(methoxy)phosphoryl]oxyethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 134417479
ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine
CID 143723108
2-methoxyacetic acid;1-(3-methoxypropyl)piperidine
CID 174749833
methyl octyl hydrogen phosphate
CID 13032455
methyl pentadecyl hydrogen phosphate
CID 175295583
methyl 2-propoxyethyl hydrogen phosphate
CID 87066021

Frequently Asked Questions

What is the IUPAC name of methyl 2-pyrrolidin-1-ylethyl hydrogen phosphate?
The IUPAC name of methyl 2-pyrrolidin-1-ylethyl hydrogen phosphate (CID 154067458) is methyl 2-pyrrolidin-1-ylethyl hydrogen phosphate.
What is the SMILES notation for methyl 2-pyrrolidin-1-ylethyl hydrogen phosphate?
The canonical SMILES for methyl 2-pyrrolidin-1-ylethyl hydrogen phosphate is COP(=O)(O)OCCN1CCCC1.
What is the InChIKey of methyl 2-pyrrolidin-1-ylethyl hydrogen phosphate?
The InChIKey is MEPUMKJCWQABJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO4P/c1-11-13(9,10)12-7-6-8-4-2-3-5-8/h2-7H2,1H3,(H,9,10).
What are the key properties of methyl 2-pyrrolidin-1-ylethyl hydrogen phosphate?
methyl 2-pyrrolidin-1-ylethyl hydrogen phosphate has a molecular weight of 209.18 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyrrolidin-1-ylethyl hydrogen phosphate is sourced from PubChem (CID 154067458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).