N-[(1R,2R)-1-diethoxyphosphoryl-2-hydroxypropyl]acetamide

C9H20NO5P — CID 166438604

IUPACN-[(1R,2R)-1-diethoxyphosphoryl-2-hydroxypropyl]acetamide
SMILESCCOP(=O)(OCC)[C@@H](NC(C)=O)[C@@H](C)O
InChIInChI=1S/C9H20NO5P/c1-5-14-16(13,15-6-2)9(7(3)11)10-8(4)12/h7,9,11H,5-6H2,1-4H3,(H,10,12)/t7-,9-/m1/s1
InChIKeyGXAVEROUGXDHNM-VXNVDRBHSA-N
MW253.23 g/mol
LogP1.10
Rot. Bonds7

About N-[(1R,2R)-1-diethoxyphosphoryl-2-hydroxypropyl]acetamide

N-[(1R,2R)-1-diethoxyphosphoryl-2-hydroxypropyl]acetamide (PubChem CID 166438604) has the molecular formula C9H20NO5P and a molecular weight of 253.23 g/mol. Its IUPAC name is N-[(1R,2R)-1-diethoxyphosphoryl-2-hydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-diethoxyphosphoryl-2-hydroxypropyl]acetamide
PubChem CID166438604
Molecular FormulaC9H20NO5P
Molecular Weight253.23 g/mol
Exact Mass253.11
IUPAC NameN-[(1R,2R)-1-diethoxyphosphoryl-2-hydroxypropyl]acetamide
SMILESCCOP(=O)(OCC)[C@@H](NC(C)=O)[C@@H](C)O
InChIInChI=1S/C9H20NO5P/c1-5-14-16(13,15-6-2)9(7(3)11)10-8(4)12/h7,9,11H,5-6H2,1-4H3,(H,10,12)/t7-,9-/m1/s1
InChIKeyGXAVEROUGXDHNM-VXNVDRBHSA-N
XLogP1.10
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.10
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-[(1R,2R)-1-diethoxyphosphoryl-2-hydroxypropyl]acetamide?
The IUPAC name of N-[(1R,2R)-1-diethoxyphosphoryl-2-hydroxypropyl]acetamide (CID 166438604) is N-[(1R,2R)-1-diethoxyphosphoryl-2-hydroxypropyl]acetamide.
What is the SMILES notation for N-[(1R,2R)-1-diethoxyphosphoryl-2-hydroxypropyl]acetamide?
The canonical SMILES for N-[(1R,2R)-1-diethoxyphosphoryl-2-hydroxypropyl]acetamide is CCOP(=O)(OCC)[C@@H](NC(C)=O)[C@@H](C)O.
What is the InChIKey of N-[(1R,2R)-1-diethoxyphosphoryl-2-hydroxypropyl]acetamide?
The InChIKey is GXAVEROUGXDHNM-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H20NO5P/c1-5-14-16(13,15-6-2)9(7(3)11)10-8(4)12/h7,9,11H,5-6H2,1-4H3,(H,10,12)/t7-,9-/m1/s1.
What are the key properties of N-[(1R,2R)-1-diethoxyphosphoryl-2-hydroxypropyl]acetamide?
N-[(1R,2R)-1-diethoxyphosphoryl-2-hydroxypropyl]acetamide has a molecular weight of 253.23 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-diethoxyphosphoryl-2-hydroxypropyl]acetamide is sourced from PubChem (CID 166438604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).