2-(dimethylamino)propyl prop-2-enoate;2-methylprop-2-enoic acid

C12H21NO4 — CID 158771008

IUPAC2-(dimethylamino)propyl prop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)OCC(C)N(C)C
InChIInChI=1S/C8H15NO2.C4H6O2/c1-5-8(10)11-6-7(2)9(3)4;1-3(2)4(5)6/h5,7H,1,6H2,2-4H3;1H2,2H3,(H,5,6)
InChIKeyIPWBYOFXLCSDOB-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.31
Rot. Bonds5

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

2-(dimethylamino)propyl prop-2-enoate;2-methylprop-2-enoic acid (PubChem CID 158771008) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-(dimethylamino)propyl prop-2-enoate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2-(dimethylamino)propyl prop-2-enoate;2-methylprop-2-enoic acid
PubChem CID158771008
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-(dimethylamino)propyl prop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)OCC(C)N(C)C
InChIInChI=1S/C8H15NO2.C4H6O2/c1-5-8(10)11-6-7(2)9(3)4;1-3(2)4(5)6/h5,7H,1,6H2,2-4H3;1H2,2H3,(H,5,6)
InChIKeyIPWBYOFXLCSDOB-UHFFFAOYSA-N
XLogP1.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)propyl prop-2-enoate;prop-2-enoic acid
CID 154945547
(3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid
CID 174950031
[2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate
CID 58203187
4-(dimethylamino)pentyl prop-2-enoate
CID 159489055
2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol
CID 159522271
3-methyl-2-methylidenepentanoic acid;2-methylpropyl prop-2-enoate
CID 161178594
2,2-dimethylpropyl prop-2-enoate;2-methylprop-2-enoic acid
CID 158445873
2-methylprop-2-enoic acid;prop-2-enamide;prop-2-enyl prop-2-enoate
CID 87208594
pentakis(ethyl prop-2-enoate);heptakis(methyl 2-methylprop-2-enoate);heptakis(2-methylprop-2-enoic acid)
CID 173459467
2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid
CID 87934107
2-(dimethylamino)propyl (E)-3-methyl-2-methylidenepent-3-enoate
CID 141191229
1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate
CID 57056208

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propyl prop-2-enoate;2-methylprop-2-enoic acid?
The IUPAC name of 2-(dimethylamino)propyl prop-2-enoate;2-methylprop-2-enoic acid (CID 158771008) is 2-(dimethylamino)propyl prop-2-enoate;2-methylprop-2-enoic acid.
What is the SMILES notation for 2-(dimethylamino)propyl prop-2-enoate;2-methylprop-2-enoic acid?
The canonical SMILES for 2-(dimethylamino)propyl prop-2-enoate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=CC(=O)OCC(C)N(C)C.
What is the InChIKey of 2-(dimethylamino)propyl prop-2-enoate;2-methylprop-2-enoic acid?
The InChIKey is IPWBYOFXLCSDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C4H6O2/c1-5-8(10)11-6-7(2)9(3)4;1-3(2)4(5)6/h5,7H,1,6H2,2-4H3;1H2,2H3,(H,5,6).
What are the key properties of 2-(dimethylamino)propyl prop-2-enoate;2-methylprop-2-enoic acid?
2-(dimethylamino)propyl prop-2-enoate;2-methylprop-2-enoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)propyl prop-2-enoate;2-methylprop-2-enoic acid is sourced from PubChem (CID 158771008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).