(3S,4R)-4-(3-diethoxyphosphorylpropoxy)pyrrolidin-3-ol

C11H24NO5P — CID 129273843

IUPAC(3S,4R)-4-(3-diethoxyphosphorylpropoxy)pyrrolidin-3-ol
SMILESCCOP(=O)(CCCO[C@@H]1CNC[C@@H]1O)OCC
InChIInChI=1S/C11H24NO5P/c1-3-16-18(14,17-4-2)7-5-6-15-11-9-12-8-10(11)13/h10-13H,3-9H2,1-2H3/t10-,11+/m0/s1
InChIKeySRZQDZZROPZXIX-WDEREUQCSA-N
MW281.29 g/mol
LogP0.99
Rot. Bonds9

About (3S,4R)-4-(3-diethoxyphosphorylpropoxy)pyrrolidin-3-ol

(3S,4R)-4-(3-diethoxyphosphorylpropoxy)pyrrolidin-3-ol (PubChem CID 129273843) has the molecular formula C11H24NO5P and a molecular weight of 281.29 g/mol. Its IUPAC name is (3S,4R)-4-(3-diethoxyphosphorylpropoxy)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(3-diethoxyphosphorylpropoxy)pyrrolidin-3-ol
PubChem CID129273843
Molecular FormulaC11H24NO5P
Molecular Weight281.29 g/mol
Exact Mass281.14
IUPAC Name(3S,4R)-4-(3-diethoxyphosphorylpropoxy)pyrrolidin-3-ol
SMILESCCOP(=O)(CCCO[C@@H]1CNC[C@@H]1O)OCC
InChIInChI=1S/C11H24NO5P/c1-3-16-18(14,17-4-2)7-5-6-15-11-9-12-8-10(11)13/h10-13H,3-9H2,1-2H3/t10-,11+/m0/s1
InChIKeySRZQDZZROPZXIX-WDEREUQCSA-N
XLogP0.99
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.99
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

(2S,3R,4R,5S)-2-diethoxyphosphoryl-5-methylpyrrolidine-3,4-diol
CID 11514357
(3S)-3-(3-diethoxyphosphorylpropoxy)pyrrolidine
CID 129273842
Ethyl-[3-[3-(ethylamino)propoxy]-2-hydroxypropoxy]phosphinate
CID 164717311
2-[(3-Butoxy-2-hydroxypropyl)amino]ethylphosphonic acid
CID 175621225
(3S,5R)-5-diethoxyphosphorylpyrrolidin-3-ol
CID 17753297
(3S,5S)-5-diethoxyphosphorylpyrrolidin-3-ol
CID 102516140
(3R,5R)-5-diethoxyphosphorylpyrrolidin-3-ol
CID 102516142
(3R,5S)-5-diethoxyphosphorylpyrrolidin-3-ol
CID 102516143
4-[2-(3-Methoxypropoxy)ethoxy]pyrrolidin-3-ol
CID 103177769
4-[3-(2-Methoxyethoxy)propoxy]pyrrolidin-3-ol
CID 103402664
4-[2-(2-Methoxyethoxy)ethoxy]pyrrolidin-3-ol
CID 104562058
4-[2-[2-(2-Butoxyethoxy)ethoxy]ethoxy]pyrrolidin-3-ol
CID 104562089

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(3-diethoxyphosphorylpropoxy)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-4-(3-diethoxyphosphorylpropoxy)pyrrolidin-3-ol (CID 129273843) is (3S,4R)-4-(3-diethoxyphosphorylpropoxy)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-4-(3-diethoxyphosphorylpropoxy)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-4-(3-diethoxyphosphorylpropoxy)pyrrolidin-3-ol is CCOP(=O)(CCCO[C@@H]1CNC[C@@H]1O)OCC.
What is the InChIKey of (3S,4R)-4-(3-diethoxyphosphorylpropoxy)pyrrolidin-3-ol?
The InChIKey is SRZQDZZROPZXIX-WDEREUQCSA-N. The full InChI is InChI=1S/C11H24NO5P/c1-3-16-18(14,17-4-2)7-5-6-15-11-9-12-8-10(11)13/h10-13H,3-9H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (3S,4R)-4-(3-diethoxyphosphorylpropoxy)pyrrolidin-3-ol?
(3S,4R)-4-(3-diethoxyphosphorylpropoxy)pyrrolidin-3-ol has a molecular weight of 281.29 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(3-diethoxyphosphorylpropoxy)pyrrolidin-3-ol is sourced from PubChem (CID 129273843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).