N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxybutyl]acetamide

C8H18NO5P — CID 125471611

IUPACN-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxybutyl]acetamide
SMILESCC[C@H](O)[C@@H](NC(C)=O)P(=O)(OC)OC
InChIInChI=1S/C8H18NO5P/c1-5-7(11)8(9-6(2)10)15(12,13-3)14-4/h7-8,11H,5H2,1-4H3,(H,9,10)/t7-,8-/m0/s1
InChIKeyOLXXRRXLENXXCN-YUMQZZPRSA-N
MW239.21 g/mol
LogP0.71
Rot. Bonds6

About N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxybutyl]acetamide

N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxybutyl]acetamide (PubChem CID 125471611) has the molecular formula C8H18NO5P and a molecular weight of 239.21 g/mol. Its IUPAC name is N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxybutyl]acetamide
PubChem CID125471611
Molecular FormulaC8H18NO5P
Molecular Weight239.21 g/mol
Exact Mass239.09
IUPAC NameN-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxybutyl]acetamide
SMILESCC[C@H](O)[C@@H](NC(C)=O)P(=O)(OC)OC
InChIInChI=1S/C8H18NO5P/c1-5-7(11)8(9-6(2)10)15(12,13-3)14-4/h7-8,11H,5H2,1-4H3,(H,9,10)/t7-,8-/m0/s1
InChIKeyOLXXRRXLENXXCN-YUMQZZPRSA-N
XLogP0.71
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxybutyl]acetamide?
The IUPAC name of N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxybutyl]acetamide (CID 125471611) is N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxybutyl]acetamide.
What is the SMILES notation for N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxybutyl]acetamide?
The canonical SMILES for N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxybutyl]acetamide is CC[C@H](O)[C@@H](NC(C)=O)P(=O)(OC)OC.
What is the InChIKey of N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxybutyl]acetamide?
The InChIKey is OLXXRRXLENXXCN-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H18NO5P/c1-5-7(11)8(9-6(2)10)15(12,13-3)14-4/h7-8,11H,5H2,1-4H3,(H,9,10)/t7-,8-/m0/s1.
What are the key properties of N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxybutyl]acetamide?
N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxybutyl]acetamide has a molecular weight of 239.21 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxybutyl]acetamide is sourced from PubChem (CID 125471611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).