2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;prop-2-enoic acid

C14H24N2O5 — CID 161182783

IUPAC2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;prop-2-enoic acid
SMILESC=C(C)C(=O)OCCN(C)C.C=CC(=O)O.C=CC(N)=O
InChIInChI=1S/C8H15NO2.C3H5NO.C3H4O2/c1-7(2)8(10)11-6-5-9(3)4;2*1-2-3(4)5/h1,5-6H2,2-4H3;2H,1H2,(H2,4,5);2H,1H2,(H,4,5)
InChIKeyUSRNRMAJRYMRJD-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.58
Rot. Bonds6

About 2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;prop-2-enoic acid

2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;prop-2-enoic acid (PubChem CID 161182783) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;prop-2-enoic acid.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;prop-2-enoic acid
PubChem CID161182783
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;prop-2-enoic acid
SMILESC=C(C)C(=O)OCCN(C)C.C=CC(=O)O.C=CC(N)=O
InChIInChI=1S/C8H15NO2.C3H5NO.C3H4O2/c1-7(2)8(10)11-6-5-9(3)4;2*1-2-3(4)5/h1,5-6H2,2-4H3;2H,1H2,(H2,4,5);2H,1H2,(H,4,5)
InChIKeyUSRNRMAJRYMRJD-UHFFFAOYSA-N
XLogP0.58
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;prop-2-enoic acid?
The IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;prop-2-enoic acid (CID 161182783) is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;prop-2-enoic acid.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;prop-2-enoic acid?
The canonical SMILES for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;prop-2-enoic acid is C=C(C)C(=O)OCCN(C)C.C=CC(=O)O.C=CC(N)=O.
What is the InChIKey of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;prop-2-enoic acid?
The InChIKey is USRNRMAJRYMRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C3H5NO.C3H4O2/c1-7(2)8(10)11-6-5-9(3)4;2*1-2-3(4)5/h1,5-6H2,2-4H3;2H,1H2,(H2,4,5);2H,1H2,(H,4,5).
What are the key properties of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;prop-2-enoic acid?
2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;prop-2-enoic acid has a molecular weight of 300.36 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;prop-2-enoic acid is sourced from PubChem (CID 161182783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).