3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide

C6H14NO5P — CID 29959

IUPAC3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide
SMILESCOP(=O)(CCC(=O)NCO)OC
InChIInChI=1S/C6H14NO5P/c1-11-13(10,12-2)4-3-6(9)7-5-8/h8H,3-5H2,1-2H3,(H,7,9)
InChIKeyMCONGYNHPPCHSD-UHFFFAOYSA-N
MW211.15 g/mol
LogP-0.07
Rot. Bonds6

About 3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide

3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide (PubChem CID 29959) has the molecular formula C6H14NO5P and a molecular weight of 211.15 g/mol. Its IUPAC name is 3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide.

Molecular Properties

Compound Name3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide
PubChem CID29959
Molecular FormulaC6H14NO5P
Molecular Weight211.15 g/mol
Exact Mass211.06
IUPAC Name3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide
SMILESCOP(=O)(CCC(=O)NCO)OC
InChIInChI=1S/C6H14NO5P/c1-11-13(10,12-2)4-3-6(9)7-5-8/h8H,3-5H2,1-2H3,(H,7,9)
InChIKeyMCONGYNHPPCHSD-UHFFFAOYSA-N
XLogP-0.07
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Pyrofix 2
CID 3080991
N-methylol dimethyl phosphonopropionamide
CID 18504438
N-hydroxymethyldi-(methoxy)phosphonopropionamide
CID 18615916
2-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide
CID 20454537
N-methylol dimethyl phosphopropionamide
CID 129830714
3-di-methyl-phosphono-N-methylolpropionamide
CID 153406707
Diethyl {3-[(hydroxymethyl)amino]-3-oxopropyl}phosphonate
CID 13629058
N-hydroxymethyl-3-dimethyl phosphopropionamide
CID 129830737
3-di(propan-2-yloxy)phosphoryl-N-(hydroxymethyl)propanamide
CID 13629059
3-diethoxyphosphoryl-N-(hydroxymethyl)-2-methylpropanamide
CID 13629060
(Propanoylamino)methylphosphonic acid
CID 15675180
[3-(Hydroxymethylamino)-2,2-dimethyl-3-oxopropyl]phosphonic acid
CID 20035973

Frequently Asked Questions

What is the IUPAC name of 3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide?
The IUPAC name of 3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide (CID 29959) is 3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide.
What is the SMILES notation for 3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide?
The canonical SMILES for 3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide is COP(=O)(CCC(=O)NCO)OC.
What is the InChIKey of 3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide?
The InChIKey is MCONGYNHPPCHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO5P/c1-11-13(10,12-2)4-3-6(9)7-5-8/h8H,3-5H2,1-2H3,(H,7,9).
What are the key properties of 3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide?
3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide has a molecular weight of 211.15 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide is sourced from PubChem (CID 29959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).