ethoxy-[(2S,4S)-4-hydroxypyrrolidin-2-yl]phosphinic acid

C6H14NO4P — CID 131026513

IUPACethoxy-[(2S,4S)-4-hydroxypyrrolidin-2-yl]phosphinic acid
SMILESCCOP(=O)(O)[C@H]1C[C@H](O)CN1
InChIInChI=1S/C6H14NO4P/c1-2-11-12(9,10)6-3-5(8)4-7-6/h5-8H,2-4H2,1H3,(H,9,10)/t5-,6-/m0/s1
InChIKeyOWCGCLYAVLTEDI-WDSKDSINSA-N
MW195.15 g/mol
LogP-0.11
Rot. Bonds3

About ethoxy-[(2S,4S)-4-hydroxypyrrolidin-2-yl]phosphinic acid

ethoxy-[(2S,4S)-4-hydroxypyrrolidin-2-yl]phosphinic acid (PubChem CID 131026513) has the molecular formula C6H14NO4P and a molecular weight of 195.15 g/mol. Its IUPAC name is ethoxy-[(2S,4S)-4-hydroxypyrrolidin-2-yl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[(2S,4S)-4-hydroxypyrrolidin-2-yl]phosphinic acid
PubChem CID131026513
Molecular FormulaC6H14NO4P
Molecular Weight195.15 g/mol
Exact Mass195.07
IUPAC Nameethoxy-[(2S,4S)-4-hydroxypyrrolidin-2-yl]phosphinic acid
SMILESCCOP(=O)(O)[C@H]1C[C@H](O)CN1
InChIInChI=1S/C6H14NO4P/c1-2-11-12(9,10)6-3-5(8)4-7-6/h5-8H,2-4H2,1H3,(H,9,10)/t5-,6-/m0/s1
InChIKeyOWCGCLYAVLTEDI-WDSKDSINSA-N
XLogP-0.11
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
Pyrrolidin-3-yl hydrogen phosphonate
CID 129732261
(2S,3R,4R,5S)-2-diethoxyphosphoryl-5-methylpyrrolidine-3,4-diol
CID 11514357
(2S,3R,4R,5S)-2-dimethoxyphosphoryl-5-methylpyrrolidine-3,4-diol;hydrochloride
CID 11594118
(3-Hydroxypyrrolidin-3-yl)phosphonic acid
CID 69693934
[(3R)-pyrrolidin-3-yl] dihydrogen phosphate
CID 69871834
Pyrrolidin-3-yl dihydrogen phosphate
CID 77734632
(R/S)-3-Hydroxy-pyrrolidin-3-yl phosphonic acid, diethyl ester
CID 85850727
1-(3-Hydroxypropylamino)propan-2-yl dihydrogen phosphate
CID 87526366
[(3R)-3-hydroxypyrrolidin-3-yl]phosphonic acid
CID 91281628
1-(Butylamino)-3-diethoxyphosphorylpropan-2-ol
CID 129072019
(3S,4R)-4-(3-diethoxyphosphorylpropoxy)pyrrolidin-3-ol
CID 129273843

Frequently Asked Questions

What is the IUPAC name of ethoxy-[(2S,4S)-4-hydroxypyrrolidin-2-yl]phosphinic acid?
The IUPAC name of ethoxy-[(2S,4S)-4-hydroxypyrrolidin-2-yl]phosphinic acid (CID 131026513) is ethoxy-[(2S,4S)-4-hydroxypyrrolidin-2-yl]phosphinic acid.
What is the SMILES notation for ethoxy-[(2S,4S)-4-hydroxypyrrolidin-2-yl]phosphinic acid?
The canonical SMILES for ethoxy-[(2S,4S)-4-hydroxypyrrolidin-2-yl]phosphinic acid is CCOP(=O)(O)[C@H]1C[C@H](O)CN1.
What is the InChIKey of ethoxy-[(2S,4S)-4-hydroxypyrrolidin-2-yl]phosphinic acid?
The InChIKey is OWCGCLYAVLTEDI-WDSKDSINSA-N. The full InChI is InChI=1S/C6H14NO4P/c1-2-11-12(9,10)6-3-5(8)4-7-6/h5-8H,2-4H2,1H3,(H,9,10)/t5-,6-/m0/s1.
What are the key properties of ethoxy-[(2S,4S)-4-hydroxypyrrolidin-2-yl]phosphinic acid?
ethoxy-[(2S,4S)-4-hydroxypyrrolidin-2-yl]phosphinic acid has a molecular weight of 195.15 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[(2S,4S)-4-hydroxypyrrolidin-2-yl]phosphinic acid is sourced from PubChem (CID 131026513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).