N-(1,3-dihydroxypropan-2-yl)-N-(hydroxymethyl)-2-methylprop-2-enamide

C8H15NO4 — CID 54441250

IUPACN-(1,3-dihydroxypropan-2-yl)-N-(hydroxymethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CO)C(CO)CO
InChIInChI=1S/C8H15NO4/c1-6(2)8(13)9(5-12)7(3-10)4-11/h7,10-12H,1,3-5H2,2H3
InChIKeyWOGAQBDZDDPJIB-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.31
Rot. Bonds5

About N-(1,3-dihydroxypropan-2-yl)-N-(hydroxymethyl)-2-methylprop-2-enamide

N-(1,3-dihydroxypropan-2-yl)-N-(hydroxymethyl)-2-methylprop-2-enamide (PubChem CID 54441250) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-N-(hydroxymethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-N-(hydroxymethyl)-2-methylprop-2-enamide
PubChem CID54441250
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-N-(hydroxymethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CO)C(CO)CO
InChIInChI=1S/C8H15NO4/c1-6(2)8(13)9(5-12)7(3-10)4-11/h7,10-12H,1,3-5H2,2H3
InChIKeyWOGAQBDZDDPJIB-UHFFFAOYSA-N
XLogP-1.31
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-N-(hydroxymethyl)-2-methylprop-2-enamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-N-(hydroxymethyl)-2-methylprop-2-enamide (CID 54441250) is N-(1,3-dihydroxypropan-2-yl)-N-(hydroxymethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-N-(hydroxymethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-N-(hydroxymethyl)-2-methylprop-2-enamide is C=C(C)C(=O)N(CO)C(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-N-(hydroxymethyl)-2-methylprop-2-enamide?
The InChIKey is WOGAQBDZDDPJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-6(2)8(13)9(5-12)7(3-10)4-11/h7,10-12H,1,3-5H2,2H3.
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-N-(hydroxymethyl)-2-methylprop-2-enamide?
N-(1,3-dihydroxypropan-2-yl)-N-(hydroxymethyl)-2-methylprop-2-enamide has a molecular weight of 189.21 g/mol, XLogP of -1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-N-(hydroxymethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 54441250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).