(3S)-3-(3-diethoxyphosphorylpropoxy)pyrrolidine

C11H24NO4P — CID 129273842

IUPAC(3S)-3-(3-diethoxyphosphorylpropoxy)pyrrolidine
SMILESCCOP(=O)(CCCO[C@H]1CCNC1)OCC
InChIInChI=1S/C11H24NO4P/c1-3-15-17(13,16-4-2)9-5-8-14-11-6-7-12-10-11/h11-12H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyQJBTWONIDZIZFT-NSHDSACASA-N
MW265.29 g/mol
LogP2.02
Rot. Bonds9

About (3S)-3-(3-diethoxyphosphorylpropoxy)pyrrolidine

(3S)-3-(3-diethoxyphosphorylpropoxy)pyrrolidine (PubChem CID 129273842) has the molecular formula C11H24NO4P and a molecular weight of 265.29 g/mol. Its IUPAC name is (3S)-3-(3-diethoxyphosphorylpropoxy)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(3-diethoxyphosphorylpropoxy)pyrrolidine
PubChem CID129273842
Molecular FormulaC11H24NO4P
Molecular Weight265.29 g/mol
Exact Mass265.14
IUPAC Name(3S)-3-(3-diethoxyphosphorylpropoxy)pyrrolidine
SMILESCCOP(=O)(CCCO[C@H]1CCNC1)OCC
InChIInChI=1S/C11H24NO4P/c1-3-15-17(13,16-4-2)9-5-8-14-11-6-7-12-10-11/h11-12H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyQJBTWONIDZIZFT-NSHDSACASA-N
XLogP2.02
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-Di(propan-2-yloxy)phosphorylpyrrolidine
CID 146164510
(R/S)-3-Hydroxy-pyrrolidin-3-yl phosphonic acid, diethyl ester
CID 85850727
(3S,4R)-4-(3-diethoxyphosphorylpropoxy)pyrrolidin-3-ol
CID 129273843
dimethyl [(3R)-pyrrolidin-3-yl] phosphate
CID 140479587
Ditert-butyl pyrrolidin-3-yl phosphate
CID 145418553
Ethoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid
CID 155661171
2-[2-(Butylamino)ethoxy]ethyl-methoxyphosphinic acid
CID 155661192
2-[2-(3-Ethoxypropylamino)ethoxy]ethyl-methoxyphosphinic acid
CID 155661196
2-[2-(Butylamino)ethoxy]ethyl-ethoxyphosphinic acid
CID 155661225
Ethoxy-[2-[2-(3-ethoxypropylamino)ethoxy]ethyl]phosphinic acid
CID 155661231
Methoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid
CID 155661235
Pyrrolidin-3-yl hydrogen phosphate;triethylazanium
CID 159195810

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-diethoxyphosphorylpropoxy)pyrrolidine?
The IUPAC name of (3S)-3-(3-diethoxyphosphorylpropoxy)pyrrolidine (CID 129273842) is (3S)-3-(3-diethoxyphosphorylpropoxy)pyrrolidine.
What is the SMILES notation for (3S)-3-(3-diethoxyphosphorylpropoxy)pyrrolidine?
The canonical SMILES for (3S)-3-(3-diethoxyphosphorylpropoxy)pyrrolidine is CCOP(=O)(CCCO[C@H]1CCNC1)OCC.
What is the InChIKey of (3S)-3-(3-diethoxyphosphorylpropoxy)pyrrolidine?
The InChIKey is QJBTWONIDZIZFT-NSHDSACASA-N. The full InChI is InChI=1S/C11H24NO4P/c1-3-15-17(13,16-4-2)9-5-8-14-11-6-7-12-10-11/h11-12H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-3-(3-diethoxyphosphorylpropoxy)pyrrolidine?
(3S)-3-(3-diethoxyphosphorylpropoxy)pyrrolidine has a molecular weight of 265.29 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-diethoxyphosphorylpropoxy)pyrrolidine is sourced from PubChem (CID 129273842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).