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

C10H22NO6P — CID 162330317

IUPAC2-(diethylamino)ethyl 2-methylprop-2-enoate;phosphoric acid
SMILESC=C(C)C(=O)OCCN(CC)CC.O=P(O)(O)O
InChIInChI=1S/C10H19NO2.H3O4P/c1-5-11(6-2)7-8-13-10(12)9(3)4;1-5(2,3)4/h3,5-8H2,1-2,4H3;(H3,1,2,3,4)
InChIKeyZCSZYWTZGQKPLF-UHFFFAOYSA-N
MW283.26 g/mol
LogP0.52
Rot. Bonds6

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

2-(diethylamino)ethyl 2-methylprop-2-enoate;phosphoric acid (PubChem CID 162330317) has the molecular formula C10H22NO6P and a molecular weight of 283.26 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-methylprop-2-enoate;phosphoric acid.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-methylprop-2-enoate;phosphoric acid
PubChem CID162330317
Molecular FormulaC10H22NO6P
Molecular Weight283.26 g/mol
Exact Mass283.12
IUPAC Name2-(diethylamino)ethyl 2-methylprop-2-enoate;phosphoric acid
SMILESC=C(C)C(=O)OCCN(CC)CC.O=P(O)(O)O
InChIInChI=1S/C10H19NO2.H3O4P/c1-5-11(6-2)7-8-13-10(12)9(3)4;1-5(2,3)4/h3,5-8H2,1-2,4H3;(H3,1,2,3,4)
InChIKeyZCSZYWTZGQKPLF-UHFFFAOYSA-N
XLogP0.52
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-methylprop-2-enoate;phosphoric acid?
The IUPAC name of 2-(diethylamino)ethyl 2-methylprop-2-enoate;phosphoric acid (CID 162330317) is 2-(diethylamino)ethyl 2-methylprop-2-enoate;phosphoric acid.
What is the SMILES notation for 2-(diethylamino)ethyl 2-methylprop-2-enoate;phosphoric acid?
The canonical SMILES for 2-(diethylamino)ethyl 2-methylprop-2-enoate;phosphoric acid is C=C(C)C(=O)OCCN(CC)CC.O=P(O)(O)O.
What is the InChIKey of 2-(diethylamino)ethyl 2-methylprop-2-enoate;phosphoric acid?
The InChIKey is ZCSZYWTZGQKPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.H3O4P/c1-5-11(6-2)7-8-13-10(12)9(3)4;1-5(2,3)4/h3,5-8H2,1-2,4H3;(H3,1,2,3,4).
What are the key properties of 2-(diethylamino)ethyl 2-methylprop-2-enoate;phosphoric acid?
2-(diethylamino)ethyl 2-methylprop-2-enoate;phosphoric acid has a molecular weight of 283.26 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-methylprop-2-enoate;phosphoric acid is sourced from PubChem (CID 162330317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).