N-(2-hydroxybutyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid

C11H21NO5 — CID 87123647

IUPACN-(2-hydroxybutyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid
SMILESC=C(C)C(=O)NCC(O)CC.CC(O)C(=O)O
InChIInChI=1S/C8H15NO2.C3H6O3/c1-4-7(10)5-9-8(11)6(2)3;1-2(4)3(5)6/h7,10H,2,4-5H2,1,3H3,(H,9,11);2,4H,1H3,(H,5,6)
InChIKeyNWLWBWBGFVJGOJ-UHFFFAOYSA-N
MW247.29 g/mol
LogP-0.10
Rot. Bonds5

About N-(2-hydroxybutyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid

N-(2-hydroxybutyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid (PubChem CID 87123647) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(2-hydroxybutyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid.

Molecular Properties

Compound NameN-(2-hydroxybutyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid
PubChem CID87123647
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC NameN-(2-hydroxybutyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid
SMILESC=C(C)C(=O)NCC(O)CC.CC(O)C(=O)O
InChIInChI=1S/C8H15NO2.C3H6O3/c1-4-7(10)5-9-8(11)6(2)3;1-2(4)3(5)6/h7,10H,2,4-5H2,1,3H3,(H,9,11);2,4H,1H3,(H,5,6)
InChIKeyNWLWBWBGFVJGOJ-UHFFFAOYSA-N
XLogP-0.10
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxybutyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid?
The IUPAC name of N-(2-hydroxybutyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid (CID 87123647) is N-(2-hydroxybutyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid.
What is the SMILES notation for N-(2-hydroxybutyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid?
The canonical SMILES for N-(2-hydroxybutyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid is C=C(C)C(=O)NCC(O)CC.CC(O)C(=O)O.
What is the InChIKey of N-(2-hydroxybutyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid?
The InChIKey is NWLWBWBGFVJGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C3H6O3/c1-4-7(10)5-9-8(11)6(2)3;1-2(4)3(5)6/h7,10H,2,4-5H2,1,3H3,(H,9,11);2,4H,1H3,(H,5,6).
What are the key properties of N-(2-hydroxybutyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid?
N-(2-hydroxybutyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid has a molecular weight of 247.29 g/mol, XLogP of -0.10, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxybutyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid is sourced from PubChem (CID 87123647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).