butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate

C12H21NO6 — CID 19967472

IUPACbutanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)C.O=C(O)CCC(=O)O
InChIInChI=1S/C8H15NO2.C4H6O4/c1-7(2)8(10)11-6-5-9(3)4;5-3(6)1-2-4(7)8/h1,5-6H2,2-4H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyPZLVZWSOYIJEIC-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.60
Rot. Bonds7

About butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate

butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate (PubChem CID 19967472) has the molecular formula C12H21NO6 and a molecular weight of 275.30 g/mol. Its IUPAC name is butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate
PubChem CID19967472
Molecular FormulaC12H21NO6
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Namebutanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)C.O=C(O)CCC(=O)O
InChIInChI=1S/C8H15NO2.C4H6O4/c1-7(2)8(10)11-6-5-9(3)4;5-3(6)1-2-4(7)8/h1,5-6H2,2-4H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyPZLVZWSOYIJEIC-UHFFFAOYSA-N
XLogP0.60
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.60
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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Related Compounds

2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659289
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
CID 175228289
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate
CID 174893121
butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87280234
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate
CID 131725052
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 159218034
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate
CID 173011820
6-bromohexanoic acid;5-carboxypentyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide
CID 157245664
8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide
CID 141499392
azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride
CID 174828907

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate (CID 19967472) is butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(C)C.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is PZLVZWSOYIJEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C4H6O4/c1-7(2)8(10)11-6-5-9(3)4;5-3(6)1-2-4(7)8/h1,5-6H2,2-4H3;1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate?
butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 275.30 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 19967472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).