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

C7H16NO5P — CID 134947015

IUPACN-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxypropyl]acetamide
SMILESCOP(=O)(OC)[C@H](NC(C)=O)[C@H](C)O
InChIInChI=1S/C7H16NO5P/c1-5(9)7(8-6(2)10)14(11,12-3)13-4/h5,7,9H,1-4H3,(H,8,10)/t5-,7-/m0/s1
InChIKeyUZLZXSCHLAHHNE-FSPLSTOPSA-N
MW225.18 g/mol
LogP0.32
Rot. Bonds5

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

N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxypropyl]acetamide (PubChem CID 134947015) has the molecular formula C7H16NO5P and a molecular weight of 225.18 g/mol. Its IUPAC name is N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxypropyl]acetamide
PubChem CID134947015
Molecular FormulaC7H16NO5P
Molecular Weight225.18 g/mol
Exact Mass225.08
IUPAC NameN-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxypropyl]acetamide
SMILESCOP(=O)(OC)[C@H](NC(C)=O)[C@H](C)O
InChIInChI=1S/C7H16NO5P/c1-5(9)7(8-6(2)10)14(11,12-3)13-4/h5,7,9H,1-4H3,(H,8,10)/t5-,7-/m0/s1
InChIKeyUZLZXSCHLAHHNE-FSPLSTOPSA-N
XLogP0.32
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 50.32
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-hydroxypropyl]acetamide?
The IUPAC name of N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxypropyl]acetamide (CID 134947015) is N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxypropyl]acetamide.
What is the SMILES notation for N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxypropyl]acetamide?
The canonical SMILES for N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxypropyl]acetamide is COP(=O)(OC)[C@H](NC(C)=O)[C@H](C)O.
What is the InChIKey of N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxypropyl]acetamide?
The InChIKey is UZLZXSCHLAHHNE-FSPLSTOPSA-N. The full InChI is InChI=1S/C7H16NO5P/c1-5(9)7(8-6(2)10)14(11,12-3)13-4/h5,7,9H,1-4H3,(H,8,10)/t5-,7-/m0/s1.
What are the key properties of N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxypropyl]acetamide?
N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxypropyl]acetamide has a molecular weight of 225.18 g/mol, XLogP of 0.32, 5 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-hydroxypropyl]acetamide is sourced from PubChem (CID 134947015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).