N-(hydroxymethyl)-3-[methoxy(methyl)phosphoryl]-2-methylpropanamide

C7H16NO4P — CID 3080991

IUPACN-(hydroxymethyl)-3-[methoxy(methyl)phosphoryl]-2-methylpropanamide
SMILESCOP(C)(=O)CC(C)C(=O)NCO
InChIInChI=1S/C7H16NO4P/c1-6(7(10)8-5-9)4-13(3,11)12-2/h6,9H,4-5H2,1-3H3,(H,8,10)
InChIKeyFQIRYMQXCFEGRV-UHFFFAOYSA-N
MW209.18 g/mol
LogP0.24
Rot. Bonds5

About N-(hydroxymethyl)-3-[methoxy(methyl)phosphoryl]-2-methylpropanamide

N-(hydroxymethyl)-3-[methoxy(methyl)phosphoryl]-2-methylpropanamide (PubChem CID 3080991) has the molecular formula C7H16NO4P and a molecular weight of 209.18 g/mol. Its IUPAC name is N-(hydroxymethyl)-3-[methoxy(methyl)phosphoryl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(hydroxymethyl)-3-[methoxy(methyl)phosphoryl]-2-methylpropanamide
PubChem CID3080991
Molecular FormulaC7H16NO4P
Molecular Weight209.18 g/mol
Exact Mass209.08
IUPAC NameN-(hydroxymethyl)-3-[methoxy(methyl)phosphoryl]-2-methylpropanamide
SMILESCOP(C)(=O)CC(C)C(=O)NCO
InChIInChI=1S/C7H16NO4P/c1-6(7(10)8-5-9)4-13(3,11)12-2/h6,9H,4-5H2,1-3H3,(H,8,10)
InChIKeyFQIRYMQXCFEGRV-UHFFFAOYSA-N
XLogP0.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-3-[methoxy(methyl)phosphoryl]-2-methylpropanamide?
The IUPAC name of N-(hydroxymethyl)-3-[methoxy(methyl)phosphoryl]-2-methylpropanamide (CID 3080991) is N-(hydroxymethyl)-3-[methoxy(methyl)phosphoryl]-2-methylpropanamide.
What is the SMILES notation for N-(hydroxymethyl)-3-[methoxy(methyl)phosphoryl]-2-methylpropanamide?
The canonical SMILES for N-(hydroxymethyl)-3-[methoxy(methyl)phosphoryl]-2-methylpropanamide is COP(C)(=O)CC(C)C(=O)NCO.
What is the InChIKey of N-(hydroxymethyl)-3-[methoxy(methyl)phosphoryl]-2-methylpropanamide?
The InChIKey is FQIRYMQXCFEGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO4P/c1-6(7(10)8-5-9)4-13(3,11)12-2/h6,9H,4-5H2,1-3H3,(H,8,10).
What are the key properties of N-(hydroxymethyl)-3-[methoxy(methyl)phosphoryl]-2-methylpropanamide?
N-(hydroxymethyl)-3-[methoxy(methyl)phosphoryl]-2-methylpropanamide has a molecular weight of 209.18 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)-3-[methoxy(methyl)phosphoryl]-2-methylpropanamide is sourced from PubChem (CID 3080991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).