[4-hydroxy-1-(2-methylpropanoyl)pyrrolidin-2-yl]methoxy-propan-2-ylphosphinous acid

C12H24NO4P — CID 176953458

IUPAC[4-hydroxy-1-(2-methylpropanoyl)pyrrolidin-2-yl]methoxy-propan-2-ylphosphinous acid
SMILESCC(C)C(=O)N1CC(O)CC1COP(O)C(C)C
InChIInChI=1S/C12H24NO4P/c1-8(2)12(15)13-6-11(14)5-10(13)7-17-18(16)9(3)4/h8-11,14,16H,5-7H2,1-4H3
InChIKeyOFOKUEQTUYQCFH-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.33
Rot. Bonds5

About [4-hydroxy-1-(2-methylpropanoyl)pyrrolidin-2-yl]methoxy-propan-2-ylphosphinous acid

[4-hydroxy-1-(2-methylpropanoyl)pyrrolidin-2-yl]methoxy-propan-2-ylphosphinous acid (PubChem CID 176953458) has the molecular formula C12H24NO4P and a molecular weight of 277.30 g/mol. Its IUPAC name is [4-hydroxy-1-(2-methylpropanoyl)pyrrolidin-2-yl]methoxy-propan-2-ylphosphinous acid.

Molecular Properties

Compound Name[4-hydroxy-1-(2-methylpropanoyl)pyrrolidin-2-yl]methoxy-propan-2-ylphosphinous acid
PubChem CID176953458
Molecular FormulaC12H24NO4P
Molecular Weight277.30 g/mol
Exact Mass277.14
IUPAC Name[4-hydroxy-1-(2-methylpropanoyl)pyrrolidin-2-yl]methoxy-propan-2-ylphosphinous acid
SMILESCC(C)C(=O)N1CC(O)CC1COP(O)C(C)C
InChIInChI=1S/C12H24NO4P/c1-8(2)12(15)13-6-11(14)5-10(13)7-17-18(16)9(3)4/h8-11,14,16H,5-7H2,1-4H3
InChIKeyOFOKUEQTUYQCFH-UHFFFAOYSA-N
XLogP1.33
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S,4R)-4-hydroxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one
CID 126835544
methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 112632548
(2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 66670441
[(2S)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidin-2-yl]methyl [(5S)-1-formyl-5-(methoxymethyl)pyrrolidin-3-yl] hydrogen phosphite
CID 170088405
2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056203
2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056619
1-[4-hydroxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 166590663
(2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid
CID 175152885
2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one
CID 147250143
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-methyl-3-oxopropanenitrile
CID 66054264
tert-butyl (2R,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 164780275
1-[(2S,4R)-4-hydroxy-2-(sulfanylmethyl)pyrrolidin-1-yl]ethanone
CID 129013066

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-1-(2-methylpropanoyl)pyrrolidin-2-yl]methoxy-propan-2-ylphosphinous acid?
The IUPAC name of [4-hydroxy-1-(2-methylpropanoyl)pyrrolidin-2-yl]methoxy-propan-2-ylphosphinous acid (CID 176953458) is [4-hydroxy-1-(2-methylpropanoyl)pyrrolidin-2-yl]methoxy-propan-2-ylphosphinous acid.
What is the SMILES notation for [4-hydroxy-1-(2-methylpropanoyl)pyrrolidin-2-yl]methoxy-propan-2-ylphosphinous acid?
The canonical SMILES for [4-hydroxy-1-(2-methylpropanoyl)pyrrolidin-2-yl]methoxy-propan-2-ylphosphinous acid is CC(C)C(=O)N1CC(O)CC1COP(O)C(C)C.
What is the InChIKey of [4-hydroxy-1-(2-methylpropanoyl)pyrrolidin-2-yl]methoxy-propan-2-ylphosphinous acid?
The InChIKey is OFOKUEQTUYQCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO4P/c1-8(2)12(15)13-6-11(14)5-10(13)7-17-18(16)9(3)4/h8-11,14,16H,5-7H2,1-4H3.
What are the key properties of [4-hydroxy-1-(2-methylpropanoyl)pyrrolidin-2-yl]methoxy-propan-2-ylphosphinous acid?
[4-hydroxy-1-(2-methylpropanoyl)pyrrolidin-2-yl]methoxy-propan-2-ylphosphinous acid has a molecular weight of 277.30 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-1-(2-methylpropanoyl)pyrrolidin-2-yl]methoxy-propan-2-ylphosphinous acid is sourced from PubChem (CID 176953458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).