2-hydroxypropan-2-yl(pyrrolidin-2-ylmethoxy)phosphinic acid

C8H18NO4P — CID 123743586

IUPAC2-hydroxypropan-2-yl(pyrrolidin-2-ylmethoxy)phosphinic acid
SMILESCC(C)(O)P(=O)(O)OCC1CCCN1
InChIInChI=1S/C8H18NO4P/c1-8(2,10)14(11,12)13-6-7-4-3-5-9-7/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyJVQBXDVUMFXDKC-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.67
Rot. Bonds4

About 2-hydroxypropan-2-yl(pyrrolidin-2-ylmethoxy)phosphinic acid

2-hydroxypropan-2-yl(pyrrolidin-2-ylmethoxy)phosphinic acid (PubChem CID 123743586) has the molecular formula C8H18NO4P and a molecular weight of 223.21 g/mol. Its IUPAC name is 2-hydroxypropan-2-yl(pyrrolidin-2-ylmethoxy)phosphinic acid.

Molecular Properties

Compound Name2-hydroxypropan-2-yl(pyrrolidin-2-ylmethoxy)phosphinic acid
PubChem CID123743586
Molecular FormulaC8H18NO4P
Molecular Weight223.21 g/mol
Exact Mass223.10
IUPAC Name2-hydroxypropan-2-yl(pyrrolidin-2-ylmethoxy)phosphinic acid
SMILESCC(C)(O)P(=O)(O)OCC1CCCN1
InChIInChI=1S/C8H18NO4P/c1-8(2,10)14(11,12)13-6-7-4-3-5-9-7/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyJVQBXDVUMFXDKC-UHFFFAOYSA-N
XLogP0.67
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.67
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

3-Hydroxy-pyrrolidin-2-ylmethyl-monophosphate group
CID 49867887
(2S,3R,4R,5S)-2-diethoxyphosphoryl-5-methylpyrrolidine-3,4-diol
CID 11514357
Pyrrolidin-2-ylmethyl dihydrogen phosphate
CID 19704335
[(2S)-pyrrolidin-2-yl]methyl dihydrogen phosphate
CID 22861265
[5-(Hydroxymethyl)pyrrolidin-3-yl] dihydrogen phosphate
CID 68637694
(4-Hydroxypyrrolidin-2-yl)methyl dihydrogen phosphate
CID 68640210
hydroxy-oxo-[[(2S)-pyrrolidin-2-yl]methoxy]phosphanium
CID 102258308
CID 123916483
CID 123916483
[(2R)-pyrrolidin-2-yl]methyl dihydrogen phosphate
CID 126576524
[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl dihydrogen phosphate
CID 129196119
[(2S,5S)-5-methylpyrrolidin-2-yl]methyl dihydrogen phosphate
CID 132193290
(1S)-2-dimethoxyphosphoryl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485219

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropan-2-yl(pyrrolidin-2-ylmethoxy)phosphinic acid?
The IUPAC name of 2-hydroxypropan-2-yl(pyrrolidin-2-ylmethoxy)phosphinic acid (CID 123743586) is 2-hydroxypropan-2-yl(pyrrolidin-2-ylmethoxy)phosphinic acid.
What is the SMILES notation for 2-hydroxypropan-2-yl(pyrrolidin-2-ylmethoxy)phosphinic acid?
The canonical SMILES for 2-hydroxypropan-2-yl(pyrrolidin-2-ylmethoxy)phosphinic acid is CC(C)(O)P(=O)(O)OCC1CCCN1.
What is the InChIKey of 2-hydroxypropan-2-yl(pyrrolidin-2-ylmethoxy)phosphinic acid?
The InChIKey is JVQBXDVUMFXDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO4P/c1-8(2,10)14(11,12)13-6-7-4-3-5-9-7/h7,9-10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-hydroxypropan-2-yl(pyrrolidin-2-ylmethoxy)phosphinic acid?
2-hydroxypropan-2-yl(pyrrolidin-2-ylmethoxy)phosphinic acid has a molecular weight of 223.21 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropan-2-yl(pyrrolidin-2-ylmethoxy)phosphinic acid is sourced from PubChem (CID 123743586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).