pyrrolidin-3-yl hydrogen phosphate;triethylazanium

C10H25N2O4P — CID 159195810

IUPACpyrrolidin-3-yl hydrogen phosphate;triethylazanium
SMILESCC[NH+](CC)CC.O=P([O-])(O)OC1CCNC1
InChIInChI=1S/C6H15N.C4H10NO4P/c1-4-7(5-2)6-3;6-10(7,8)9-4-1-2-5-3-4/h4-6H2,1-3H3;4-5H,1-3H2,(H2,6,7,8)
InChIKeyKOQMGIRUYMUKBL-UHFFFAOYSA-N
MW268.29 g/mol
LogP-1.24
Rot. Bonds5

About pyrrolidin-3-yl hydrogen phosphate;triethylazanium

pyrrolidin-3-yl hydrogen phosphate;triethylazanium (PubChem CID 159195810) has the molecular formula C10H25N2O4P and a molecular weight of 268.29 g/mol. Its IUPAC name is pyrrolidin-3-yl hydrogen phosphate;triethylazanium.

Molecular Properties

Compound Namepyrrolidin-3-yl hydrogen phosphate;triethylazanium
PubChem CID159195810
Molecular FormulaC10H25N2O4P
Molecular Weight268.29 g/mol
Exact Mass268.16
IUPAC Namepyrrolidin-3-yl hydrogen phosphate;triethylazanium
SMILESCC[NH+](CC)CC.O=P([O-])(O)OC1CCNC1
InChIInChI=1S/C6H15N.C4H10NO4P/c1-4-7(5-2)6-3;6-10(7,8)9-4-1-2-5-3-4/h4-6H2,1-3H3;4-5H,1-3H2,(H2,6,7,8)
InChIKeyKOQMGIRUYMUKBL-UHFFFAOYSA-N
XLogP-1.24
TPSA86.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl hydrogen phosphate;triethylazanium?
The IUPAC name of pyrrolidin-3-yl hydrogen phosphate;triethylazanium (CID 159195810) is pyrrolidin-3-yl hydrogen phosphate;triethylazanium.
What is the SMILES notation for pyrrolidin-3-yl hydrogen phosphate;triethylazanium?
The canonical SMILES for pyrrolidin-3-yl hydrogen phosphate;triethylazanium is CC[NH+](CC)CC.O=P([O-])(O)OC1CCNC1.
What is the InChIKey of pyrrolidin-3-yl hydrogen phosphate;triethylazanium?
The InChIKey is KOQMGIRUYMUKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H10NO4P/c1-4-7(5-2)6-3;6-10(7,8)9-4-1-2-5-3-4/h4-6H2,1-3H3;4-5H,1-3H2,(H2,6,7,8).
What are the key properties of pyrrolidin-3-yl hydrogen phosphate;triethylazanium?
pyrrolidin-3-yl hydrogen phosphate;triethylazanium has a molecular weight of 268.29 g/mol, XLogP of -1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl hydrogen phosphate;triethylazanium is sourced from PubChem (CID 159195810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).