N-(hydroxymethyl)propanamide;methylphosphonic acid

C5H14NO5P — CID 175038682

IUPACN-(hydroxymethyl)propanamide;methylphosphonic acid
SMILESCCC(=O)NCO.CP(=O)(O)O
InChIInChI=1S/C4H9NO2.CH5O3P/c1-2-4(7)5-3-6;1-5(2,3)4/h6H,2-3H2,1H3,(H,5,7);1H3,(H2,2,3,4)
InChIKeyJINHTQIYJQWHIL-UHFFFAOYSA-N
MW199.14 g/mol
LogP-0.74
Rot. Bonds2

About N-(hydroxymethyl)propanamide;methylphosphonic acid

N-(hydroxymethyl)propanamide;methylphosphonic acid (PubChem CID 175038682) has the molecular formula C5H14NO5P and a molecular weight of 199.14 g/mol. Its IUPAC name is N-(hydroxymethyl)propanamide;methylphosphonic acid.

Molecular Properties

Compound NameN-(hydroxymethyl)propanamide;methylphosphonic acid
PubChem CID175038682
Molecular FormulaC5H14NO5P
Molecular Weight199.14 g/mol
Exact Mass199.06
IUPAC NameN-(hydroxymethyl)propanamide;methylphosphonic acid
SMILESCCC(=O)NCO.CP(=O)(O)O
InChIInChI=1S/C4H9NO2.CH5O3P/c1-2-4(7)5-3-6;1-5(2,3)4/h6H,2-3H2,1H3,(H,5,7);1H3,(H2,2,3,4)
InChIKeyJINHTQIYJQWHIL-UHFFFAOYSA-N
XLogP-0.74
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

Dimethyl N-hydroxymethylcarbamoylethylphosphonate
CID 29959
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
(Butanoylamino)methylphosphonic acid
CID 12138605
3-di(propan-2-yloxy)phosphoryl-N-(hydroxymethyl)propanamide
CID 13629059
3-diethoxyphosphoryl-N-(hydroxymethyl)-2-methylpropanamide
CID 13629060

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)propanamide;methylphosphonic acid?
The IUPAC name of N-(hydroxymethyl)propanamide;methylphosphonic acid (CID 175038682) is N-(hydroxymethyl)propanamide;methylphosphonic acid.
What is the SMILES notation for N-(hydroxymethyl)propanamide;methylphosphonic acid?
The canonical SMILES for N-(hydroxymethyl)propanamide;methylphosphonic acid is CCC(=O)NCO.CP(=O)(O)O.
What is the InChIKey of N-(hydroxymethyl)propanamide;methylphosphonic acid?
The InChIKey is JINHTQIYJQWHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.CH5O3P/c1-2-4(7)5-3-6;1-5(2,3)4/h6H,2-3H2,1H3,(H,5,7);1H3,(H2,2,3,4).
What are the key properties of N-(hydroxymethyl)propanamide;methylphosphonic acid?
N-(hydroxymethyl)propanamide;methylphosphonic acid has a molecular weight of 199.14 g/mol, XLogP of -0.74, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)propanamide;methylphosphonic acid is sourced from PubChem (CID 175038682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).