N-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]acetamide

C9H20NO5P — CID 102320660

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

About N-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]acetamide

N-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]acetamide (PubChem CID 102320660) has the molecular formula C9H20NO5P and a molecular weight of 253.23 g/mol. Its IUPAC name is N-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]acetamide
PubChem CID102320660
Molecular FormulaC9H20NO5P
Molecular Weight253.23 g/mol
Exact Mass253.11
IUPAC NameN-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]acetamide
SMILESCCOP(=O)(OCC)[C@H](O)[C@@H](C)NC(C)=O
InChIInChI=1S/C9H20NO5P/c1-5-14-16(13,15-6-2)9(12)7(3)10-8(4)11/h7,9,12H,5-6H2,1-4H3,(H,10,11)/t7-,9+/m1/s1
InChIKeySFOCCTQDCMYHBF-APPZFPTMSA-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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Related Compounds

methyl 2-acetamido-2-diethoxyphosphorylacetate
CID 19013464
N-[(1S)-2,2,2-trichloro-1-diethoxyphosphorylethyl]acetamide
CID 2305152
N-(1-diethoxyphosphorylethyl)-2-methylpropanamide
CID 118391289
N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide
CID 55301756
(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085
N-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]acetamide
CID 15270678
2-diethoxyphosphorylbutane
CID 2733649
methyl (E)-4-diethoxyphosphorylpent-2-enoate
CID 24864443
(1S)-1-diethoxyphosphoryl-3-methylbutan-1-ol
CID 10944092
(2S,3R)-3-diethoxyphosphorylpentan-2-ol
CID 166436787
3,3-bis(diethoxyphosphoryl)propanoic acid
CID 19689030
methyl 3-diethoxyphosphorylbutanoate
CID 14418068

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]acetamide?
The IUPAC name of N-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]acetamide (CID 102320660) is N-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]acetamide?
The canonical SMILES for N-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]acetamide is CCOP(=O)(OCC)[C@H](O)[C@@H](C)NC(C)=O.
What is the InChIKey of N-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]acetamide?
The InChIKey is SFOCCTQDCMYHBF-APPZFPTMSA-N. The full InChI is InChI=1S/C9H20NO5P/c1-5-14-16(13,15-6-2)9(12)7(3)10-8(4)11/h7,9,12H,5-6H2,1-4H3,(H,10,11)/t7-,9+/m1/s1.
What are the key properties of N-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]acetamide?
N-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]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-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 102320660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).