(3R,5S)-5-diethoxyphosphorylpyrrolidin-3-ol

C8H18NO4P — CID 102516143

IUPAC(3R,5S)-5-diethoxyphosphorylpyrrolidin-3-ol
SMILESCCOP(=O)(OCC)[C@H]1C[C@@H](O)CN1
InChIInChI=1S/C8H18NO4P/c1-3-12-14(11,13-4-2)8-5-7(10)6-9-8/h7-10H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyYWRSUNVRWMFFDG-SFYZADRCSA-N
MW223.21 g/mol
LogP0.93
Rot. Bonds5

About (3R,5S)-5-diethoxyphosphorylpyrrolidin-3-ol

(3R,5S)-5-diethoxyphosphorylpyrrolidin-3-ol (PubChem CID 102516143) has the molecular formula C8H18NO4P and a molecular weight of 223.21 g/mol. Its IUPAC name is (3R,5S)-5-diethoxyphosphorylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-diethoxyphosphorylpyrrolidin-3-ol
PubChem CID102516143
Molecular FormulaC8H18NO4P
Molecular Weight223.21 g/mol
Exact Mass223.10
IUPAC Name(3R,5S)-5-diethoxyphosphorylpyrrolidin-3-ol
SMILESCCOP(=O)(OCC)[C@H]1C[C@@H](O)CN1
InChIInChI=1S/C8H18NO4P/c1-3-12-14(11,13-4-2)8-5-7(10)6-9-8/h7-10H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyYWRSUNVRWMFFDG-SFYZADRCSA-N
XLogP0.93
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R,4R)-4-hydroxypyrrolidin-2-yl]phosphonic acid
CID 91019033
(2S,3R,4R,5S)-2-diethoxyphosphoryl-5-methylpyrrolidine-3,4-diol
CID 11514357
(2S,3R,4R,5S)-2-diethoxyphosphoryl-5-methylpyrrolidine-3,4-diol;hydrochloride
CID 11522107
(2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol;hydrochloride
CID 11558541
(2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol
CID 11558542
(2S,3R,4R,5S)-2-dimethoxyphosphoryl-5-methylpyrrolidine-3,4-diol;hydrochloride
CID 11594118
(R/S)-3-Hydroxy-pyrrolidin-3-yl phosphonic acid, diethyl ester
CID 85850727
1-(3-Hydroxypropylamino)propan-2-yl dihydrogen phosphate
CID 87526366
2-(Butylamino)-3-diethoxyphosphorylpropan-1-ol
CID 129072018
1-(Butylamino)-3-diethoxyphosphorylpropan-2-ol
CID 129072019
(3S)-3-(3-diethoxyphosphorylpropoxy)pyrrolidine
CID 129273842
(3S,4R)-4-(3-diethoxyphosphorylpropoxy)pyrrolidin-3-ol
CID 129273843

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-diethoxyphosphorylpyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-diethoxyphosphorylpyrrolidin-3-ol (CID 102516143) is (3R,5S)-5-diethoxyphosphorylpyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-diethoxyphosphorylpyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-diethoxyphosphorylpyrrolidin-3-ol is CCOP(=O)(OCC)[C@H]1C[C@@H](O)CN1.
What is the InChIKey of (3R,5S)-5-diethoxyphosphorylpyrrolidin-3-ol?
The InChIKey is YWRSUNVRWMFFDG-SFYZADRCSA-N. The full InChI is InChI=1S/C8H18NO4P/c1-3-12-14(11,13-4-2)8-5-7(10)6-9-8/h7-10H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (3R,5S)-5-diethoxyphosphorylpyrrolidin-3-ol?
(3R,5S)-5-diethoxyphosphorylpyrrolidin-3-ol has a molecular weight of 223.21 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-diethoxyphosphorylpyrrolidin-3-ol is sourced from PubChem (CID 102516143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).