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

C9H17NO5 — CID 87097365

IUPACN-(2-hydroxyethyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid
SMILESC=C(C)C(=O)NCCO.CC(O)C(=O)O
InChIInChI=1S/C6H11NO2.C3H6O3/c1-5(2)6(9)7-3-4-8;1-2(4)3(5)6/h8H,1,3-4H2,2H3,(H,7,9);2,4H,1H3,(H,5,6)
InChIKeyOZJIDSCIVVMGDW-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.88
Rot. Bonds4

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

N-(2-hydroxyethyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid (PubChem CID 87097365) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid
PubChem CID87097365
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC NameN-(2-hydroxyethyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid
SMILESC=C(C)C(=O)NCCO.CC(O)C(=O)O
InChIInChI=1S/C6H11NO2.C3H6O3/c1-5(2)6(9)7-3-4-8;1-2(4)3(5)6/h8H,1,3-4H2,2H3,(H,7,9);2,4H,1H3,(H,5,6)
InChIKeyOZJIDSCIVVMGDW-UHFFFAOYSA-N
XLogP-0.88
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid?
The IUPAC name of N-(2-hydroxyethyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid (CID 87097365) is N-(2-hydroxyethyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid?
The canonical SMILES for N-(2-hydroxyethyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid is C=C(C)C(=O)NCCO.CC(O)C(=O)O.
What is the InChIKey of N-(2-hydroxyethyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid?
The InChIKey is OZJIDSCIVVMGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C3H6O3/c1-5(2)6(9)7-3-4-8;1-2(4)3(5)6/h8H,1,3-4H2,2H3,(H,7,9);2,4H,1H3,(H,5,6).
What are the key properties of N-(2-hydroxyethyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid?
N-(2-hydroxyethyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid has a molecular weight of 219.24 g/mol, XLogP of -0.88, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid is sourced from PubChem (CID 87097365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).