ethoxyethane;ethyl 2-(dimethylamino)prop-2-enoate;prop-2-enoic acid

C14H27NO5 — CID 175987260

IUPACethoxyethane;ethyl 2-(dimethylamino)prop-2-enoate;prop-2-enoic acid
SMILESC=C(C(=O)OCC)N(C)C.C=CC(=O)O.CCOCC
InChIInChI=1S/C7H13NO2.C4H10O.C3H4O2/c1-5-10-7(9)6(2)8(3)4;1-3-5-4-2;1-2-3(4)5/h2,5H2,1,3-4H3;3-4H2,1-2H3;2H,1H2,(H,4,5)
InChIKeyPFGDASBKUUHTKO-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.92
Rot. Bonds6

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

ethoxyethane;ethyl 2-(dimethylamino)prop-2-enoate;prop-2-enoic acid (PubChem CID 175987260) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is ethoxyethane;ethyl 2-(dimethylamino)prop-2-enoate;prop-2-enoic acid.

Molecular Properties

Compound Nameethoxyethane;ethyl 2-(dimethylamino)prop-2-enoate;prop-2-enoic acid
PubChem CID175987260
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Nameethoxyethane;ethyl 2-(dimethylamino)prop-2-enoate;prop-2-enoic acid
SMILESC=C(C(=O)OCC)N(C)C.C=CC(=O)O.CCOCC
InChIInChI=1S/C7H13NO2.C4H10O.C3H4O2/c1-5-10-7(9)6(2)8(3)4;1-3-5-4-2;1-2-3(4)5/h2,5H2,1,3-4H3;3-4H2,1-2H3;2H,1H2,(H,4,5)
InChIKeyPFGDASBKUUHTKO-UHFFFAOYSA-N
XLogP1.92
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate
CID 87228347
ethyl 2,3-dimethylbut-2-enoate;bis(prop-2-enoic acid)
CID 174830905
ethyl acetate;prop-2-enoic acid
CID 87362107
azane;ethyl carbamate;prop-2-enoic acid
CID 172762605
acetic acid;ethyl prop-2-enoate;2-methylprop-1-ene
CID 174936944
N,N-dimethylmethanamine;prop-2-enoic acid
CID 87439346
ethyl (2Z)-3-hydroxy-2-methylpenta-2,4-dienoate
CID 54721321
but-2-ene;ethyl carbamate;prop-2-enoic acid
CID 174836348
acetic acid;ethoxyethane;prop-1-ene
CID 87985609
ethyl (4E)-6-(dimethylamino)-5-methylhepta-4,6-dienoate
CID 12892823
ethyl 2-ethenylbut-2-enoate
CID 123198246
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;ethyl 2-(dimethylamino)prop-2-enoate;prop-2-enoic acid?
The IUPAC name of ethoxyethane;ethyl 2-(dimethylamino)prop-2-enoate;prop-2-enoic acid (CID 175987260) is ethoxyethane;ethyl 2-(dimethylamino)prop-2-enoate;prop-2-enoic acid.
What is the SMILES notation for ethoxyethane;ethyl 2-(dimethylamino)prop-2-enoate;prop-2-enoic acid?
The canonical SMILES for ethoxyethane;ethyl 2-(dimethylamino)prop-2-enoate;prop-2-enoic acid is C=C(C(=O)OCC)N(C)C.C=CC(=O)O.CCOCC.
What is the InChIKey of ethoxyethane;ethyl 2-(dimethylamino)prop-2-enoate;prop-2-enoic acid?
The InChIKey is PFGDASBKUUHTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C4H10O.C3H4O2/c1-5-10-7(9)6(2)8(3)4;1-3-5-4-2;1-2-3(4)5/h2,5H2,1,3-4H3;3-4H2,1-2H3;2H,1H2,(H,4,5).
What are the key properties of ethoxyethane;ethyl 2-(dimethylamino)prop-2-enoate;prop-2-enoic acid?
ethoxyethane;ethyl 2-(dimethylamino)prop-2-enoate;prop-2-enoic acid has a molecular weight of 289.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;ethyl 2-(dimethylamino)prop-2-enoate;prop-2-enoic acid is sourced from PubChem (CID 175987260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).