2-(diethylamino)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid

C14H25NO4 — CID 87194108

IUPAC2-(diethylamino)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OCCN(CC)CC
InChIInChI=1S/C10H19NO2.C4H6O2/c1-5-11(6-2)7-8-13-10(12)9(3)4;1-3(2)4(5)6/h3,5-8H2,1-2,4H3;1H2,2H3,(H,5,6)
InChIKeyDMUVPLKIIRAZKS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.09
Rot. Bonds7

About 2-(diethylamino)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid

2-(diethylamino)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid (PubChem CID 87194108) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
PubChem CID87194108
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-(diethylamino)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OCCN(CC)CC
InChIInChI=1S/C10H19NO2.C4H6O2/c1-5-11(6-2)7-8-13-10(12)9(3)4;1-3(2)4(5)6/h3,5-8H2,1-2,4H3;1H2,2H3,(H,5,6)
InChIKeyDMUVPLKIIRAZKS-UHFFFAOYSA-N
XLogP2.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
The IUPAC name of 2-(diethylamino)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid (CID 87194108) is 2-(diethylamino)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid.
What is the SMILES notation for 2-(diethylamino)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
The canonical SMILES for 2-(diethylamino)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=C(C)C(=O)OCCN(CC)CC.
What is the InChIKey of 2-(diethylamino)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
The InChIKey is DMUVPLKIIRAZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C4H6O2/c1-5-11(6-2)7-8-13-10(12)9(3)4;1-3(2)4(5)6/h3,5-8H2,1-2,4H3;1H2,2H3,(H,5,6).
What are the key properties of 2-(diethylamino)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
2-(diethylamino)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid has a molecular weight of 271.36 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid is sourced from PubChem (CID 87194108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).