diethyl (2R,3R)-3-(diethoxyphosphorylmethyl)pyrrolidine-1,2-dicarboxylate

C15H28NO7P — CID 131716302

IUPACdiethyl (2R,3R)-3-(diethoxyphosphorylmethyl)pyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)[C@H]1[C@H](CP(=O)(OCC)OCC)CCN1C(=O)OCC
InChIInChI=1S/C15H28NO7P/c1-5-20-14(17)13-12(9-10-16(13)15(18)21-6-2)11-24(19,22-7-3)23-8-4/h12-13H,5-11H2,1-4H3/t12-,13+/m0/s1
InChIKeyBDWMOVAHIMVQAC-QWHCGFSZSA-N
MW365.36 g/mol
LogP2.66
Rot. Bonds9

About diethyl (2R,3R)-3-(diethoxyphosphorylmethyl)pyrrolidine-1,2-dicarboxylate

diethyl (2R,3R)-3-(diethoxyphosphorylmethyl)pyrrolidine-1,2-dicarboxylate (PubChem CID 131716302) has the molecular formula C15H28NO7P and a molecular weight of 365.36 g/mol. Its IUPAC name is diethyl (2R,3R)-3-(diethoxyphosphorylmethyl)pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl (2R,3R)-3-(diethoxyphosphorylmethyl)pyrrolidine-1,2-dicarboxylate
PubChem CID131716302
Molecular FormulaC15H28NO7P
Molecular Weight365.36 g/mol
Exact Mass365.16
IUPAC Namediethyl (2R,3R)-3-(diethoxyphosphorylmethyl)pyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)[C@H]1[C@H](CP(=O)(OCC)OCC)CCN1C(=O)OCC
InChIInChI=1S/C15H28NO7P/c1-5-20-14(17)13-12(9-10-16(13)15(18)21-6-2)11-24(19,22-7-3)23-8-4/h12-13H,5-11H2,1-4H3/t12-,13+/m0/s1
InChIKeyBDWMOVAHIMVQAC-QWHCGFSZSA-N
XLogP2.66
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

diethyl (2R,3R)-3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
CID 86743786
1-ethoxycarbonyl-3-hydroxypyrrolidine-2-carboxylic acid
CID 131424901
ethyl 2-diethoxyphosphorylpiperidine-1-carboxylate
CID 20676716
3-O-ethyl 2-O-methyl (3R,4aS,6S,8aS)-6-(diethoxyphosphorylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate
CID 10342013
ethyl (2S,4R)-4-(diethoxyphosphorylmethyl)piperidine-2-carboxylate
CID 54250756
1-O-tert-butyl 2-O-ethyl (2S,3R)-3-cyclopropylpyrrolidine-1,2-dicarboxylate
CID 11748041
1-O-tert-butyl 2-O-ethyl (2S,3S)-3-hydroxypiperidine-1,2-dicarboxylate
CID 11184884
1-O-tert-butyl 2-O-ethyl (2S,3R)-3-aminopiperidine-1,2-dicarboxylate
CID 163323409
diethyl 3-oxopyrrolidine-1,2-dicarboxylate
CID 15618374
diethyl 6-(diethoxyphosphorylmethyl)-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate
CID 15171954
(2S)-3-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 166842542
ethyl (2R,4S)-2,4-diethoxypiperidine-1-carboxylate
CID 131871757

Frequently Asked Questions

What is the IUPAC name of diethyl (2R,3R)-3-(diethoxyphosphorylmethyl)pyrrolidine-1,2-dicarboxylate?
The IUPAC name of diethyl (2R,3R)-3-(diethoxyphosphorylmethyl)pyrrolidine-1,2-dicarboxylate (CID 131716302) is diethyl (2R,3R)-3-(diethoxyphosphorylmethyl)pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for diethyl (2R,3R)-3-(diethoxyphosphorylmethyl)pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for diethyl (2R,3R)-3-(diethoxyphosphorylmethyl)pyrrolidine-1,2-dicarboxylate is CCOC(=O)[C@H]1[C@H](CP(=O)(OCC)OCC)CCN1C(=O)OCC.
What is the InChIKey of diethyl (2R,3R)-3-(diethoxyphosphorylmethyl)pyrrolidine-1,2-dicarboxylate?
The InChIKey is BDWMOVAHIMVQAC-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H28NO7P/c1-5-20-14(17)13-12(9-10-16(13)15(18)21-6-2)11-24(19,22-7-3)23-8-4/h12-13H,5-11H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of diethyl (2R,3R)-3-(diethoxyphosphorylmethyl)pyrrolidine-1,2-dicarboxylate?
diethyl (2R,3R)-3-(diethoxyphosphorylmethyl)pyrrolidine-1,2-dicarboxylate has a molecular weight of 365.36 g/mol, XLogP of 2.66, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R,3R)-3-(diethoxyphosphorylmethyl)pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 131716302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).