(2R)-2-diethoxyphosphorylpyrrolidine

C8H18NO3P — CID 10727017

IUPAC(2R)-2-diethoxyphosphorylpyrrolidine
SMILESCCOP(=O)(OCC)[C@@H]1CCCN1
InChIInChI=1S/C8H18NO3P/c1-3-11-13(10,12-4-2)8-6-5-7-9-8/h8-9H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyLGVFMTZILPMWMU-MRVPVSSYSA-N
MW207.21 g/mol
LogP1.96
Rot. Bonds5

About (2R)-2-diethoxyphosphorylpyrrolidine

(2R)-2-diethoxyphosphorylpyrrolidine (PubChem CID 10727017) has the molecular formula C8H18NO3P and a molecular weight of 207.21 g/mol. Its IUPAC name is (2R)-2-diethoxyphosphorylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-diethoxyphosphorylpyrrolidine
PubChem CID10727017
Molecular FormulaC8H18NO3P
Molecular Weight207.21 g/mol
Exact Mass207.10
IUPAC Name(2R)-2-diethoxyphosphorylpyrrolidine
SMILESCCOP(=O)(OCC)[C@@H]1CCCN1
InChIInChI=1S/C8H18NO3P/c1-3-11-13(10,12-4-2)8-6-5-7-9-8/h8-9H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyLGVFMTZILPMWMU-MRVPVSSYSA-N
XLogP1.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.96
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

(2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine
CID 11402086
2-dimethylphosphorylpyrrolidine;hydrochloride
CID 138987795
3-diethoxyphosphoryl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 132581637
CID 101403900
CID 101403900
[(2R)-pyrrolidin-2-yl]phosphonic acid
CID 53355435
pyrrolidin-2-ylphosphonic acid;hydrate
CID 168869998
ethyl 2-diethoxyphosphorylpiperidine-1-carboxylate
CID 20676716
piperidin-2-ylphosphonic acid
CID 2785326
[(2S)-piperidin-2-yl]phosphonic acid
CID 11829783
1-diethoxyphosphoryl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 11413916
(3R,3aS,6aR)-3-diethoxyphosphoryl-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d][1,2]oxazole
CID 101429409
[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
CID 87645373

Frequently Asked Questions

What is the IUPAC name of (2R)-2-diethoxyphosphorylpyrrolidine?
The IUPAC name of (2R)-2-diethoxyphosphorylpyrrolidine (CID 10727017) is (2R)-2-diethoxyphosphorylpyrrolidine.
What is the SMILES notation for (2R)-2-diethoxyphosphorylpyrrolidine?
The canonical SMILES for (2R)-2-diethoxyphosphorylpyrrolidine is CCOP(=O)(OCC)[C@@H]1CCCN1.
What is the InChIKey of (2R)-2-diethoxyphosphorylpyrrolidine?
The InChIKey is LGVFMTZILPMWMU-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18NO3P/c1-3-11-13(10,12-4-2)8-6-5-7-9-8/h8-9H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-2-diethoxyphosphorylpyrrolidine?
(2R)-2-diethoxyphosphorylpyrrolidine has a molecular weight of 207.21 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-diethoxyphosphorylpyrrolidine is sourced from PubChem (CID 10727017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).