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

C11H19NO4 — CID 154945547

IUPAC2-(dimethylamino)propyl prop-2-enoate;prop-2-enoic acid
SMILESC=CC(=O)O.C=CC(=O)OCC(C)N(C)C
InChIInChI=1S/C8H15NO2.C3H4O2/c1-5-8(10)11-6-7(2)9(3)4;1-2-3(4)5/h5,7H,1,6H2,2-4H3;2H,1H2,(H,4,5)
InChIKeyDCFBGOWBLYEAFE-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.92
Rot. Bonds5

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

2-(dimethylamino)propyl prop-2-enoate;prop-2-enoic acid (PubChem CID 154945547) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(dimethylamino)propyl prop-2-enoate;prop-2-enoic acid.

Molecular Properties

Compound Name2-(dimethylamino)propyl prop-2-enoate;prop-2-enoic acid
PubChem CID154945547
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-(dimethylamino)propyl prop-2-enoate;prop-2-enoic acid
SMILESC=CC(=O)O.C=CC(=O)OCC(C)N(C)C
InChIInChI=1S/C8H15NO2.C3H4O2/c1-5-8(10)11-6-7(2)9(3)4;1-2-3(4)5/h5,7H,1,6H2,2-4H3;2H,1H2,(H,4,5)
InChIKeyDCFBGOWBLYEAFE-UHFFFAOYSA-N
XLogP0.92
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.92
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;2-methylprop-2-enoic acid
CID 158771008
2-chloropropyl prop-2-enoate;prop-2-enoic acid
CID 175785601
[2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate
CID 58203187
4-(dimethylamino)pentyl prop-2-enoate
CID 159489055
ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid
CID 174768003
[2-[(dimethylamino)methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 139724297
2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
CID 87645006
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
CID 139835678
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
2-(ethylamino)propyl prop-2-enoate
CID 57196832
N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate
CID 146373089
3-hydroxy-2-(prop-2-enoyloxymethyl)butanoic acid
CID 174714719

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propyl prop-2-enoate;prop-2-enoic acid?
The IUPAC name of 2-(dimethylamino)propyl prop-2-enoate;prop-2-enoic acid (CID 154945547) is 2-(dimethylamino)propyl prop-2-enoate;prop-2-enoic acid.
What is the SMILES notation for 2-(dimethylamino)propyl prop-2-enoate;prop-2-enoic acid?
The canonical SMILES for 2-(dimethylamino)propyl prop-2-enoate;prop-2-enoic acid is C=CC(=O)O.C=CC(=O)OCC(C)N(C)C.
What is the InChIKey of 2-(dimethylamino)propyl prop-2-enoate;prop-2-enoic acid?
The InChIKey is DCFBGOWBLYEAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C3H4O2/c1-5-8(10)11-6-7(2)9(3)4;1-2-3(4)5/h5,7H,1,6H2,2-4H3;2H,1H2,(H,4,5).
What are the key properties of 2-(dimethylamino)propyl prop-2-enoate;prop-2-enoic acid?
2-(dimethylamino)propyl prop-2-enoate;prop-2-enoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.92, 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;prop-2-enoic acid is sourced from PubChem (CID 154945547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).