[2-methyl-1-[(2-methyl-1-prop-2-enoyloxypropyl)amino]propyl] prop-2-enoate;phosphoric acid

C14H26NO8P — CID 174919478

IUPAC[2-methyl-1-[(2-methyl-1-prop-2-enoyloxypropyl)amino]propyl] prop-2-enoate;phosphoric acid
SMILESC=CC(=O)OC(NC(OC(=O)C=C)C(C)C)C(C)C.O=P(O)(O)O
InChIInChI=1S/C14H23NO4.H3O4P/c1-7-11(16)18-13(9(3)4)15-14(10(5)6)19-12(17)8-2;1-5(2,3)4/h7-10,13-15H,1-2H2,3-6H3;(H3,1,2,3,4)
InChIKeyPPAFPKXTLXPBSY-UHFFFAOYSA-N
MW367.34 g/mol
LogP1.07
Rot. Bonds8

About [2-methyl-1-[(2-methyl-1-prop-2-enoyloxypropyl)amino]propyl] prop-2-enoate;phosphoric acid

[2-methyl-1-[(2-methyl-1-prop-2-enoyloxypropyl)amino]propyl] prop-2-enoate;phosphoric acid (PubChem CID 174919478) has the molecular formula C14H26NO8P and a molecular weight of 367.34 g/mol. Its IUPAC name is [2-methyl-1-[(2-methyl-1-prop-2-enoyloxypropyl)amino]propyl] prop-2-enoate;phosphoric acid.

Molecular Properties

Compound Name[2-methyl-1-[(2-methyl-1-prop-2-enoyloxypropyl)amino]propyl] prop-2-enoate;phosphoric acid
PubChem CID174919478
Molecular FormulaC14H26NO8P
Molecular Weight367.34 g/mol
Exact Mass367.14
IUPAC Name[2-methyl-1-[(2-methyl-1-prop-2-enoyloxypropyl)amino]propyl] prop-2-enoate;phosphoric acid
SMILESC=CC(=O)OC(NC(OC(=O)C=C)C(C)C)C(C)C.O=P(O)(O)O
InChIInChI=1S/C14H23NO4.H3O4P/c1-7-11(16)18-13(9(3)4)15-14(10(5)6)19-12(17)8-2;1-5(2,3)4/h7-10,13-15H,1-2H2,3-6H3;(H3,1,2,3,4)
InChIKeyPPAFPKXTLXPBSY-UHFFFAOYSA-N
XLogP1.07
TPSA142.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methyl prop-2-enoate;phosphoric acid
CID 174689976
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
1-(dimethylamino)prop-2-enyl prop-2-enoate
CID 87262615
1-dimethylarsanylethyl prop-2-enoate
CID 87979584
1-dimethoxyphosphoryloxyethyl prop-2-enoate
CID 21386963
(3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate
CID 170161205
1-(2,2-dimethylpropylamino)ethyl prop-2-enoate
CID 22901740
1-(carbamoylamino)ethyl prop-2-enoate
CID 22146186
3,4-dimethylpent-3-en-2-yl prop-2-enoate
CID 175606841
[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053
1-(diethylamino)prop-2-enyl prop-2-enoate
CID 87565794

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[(2-methyl-1-prop-2-enoyloxypropyl)amino]propyl] prop-2-enoate;phosphoric acid?
The IUPAC name of [2-methyl-1-[(2-methyl-1-prop-2-enoyloxypropyl)amino]propyl] prop-2-enoate;phosphoric acid (CID 174919478) is [2-methyl-1-[(2-methyl-1-prop-2-enoyloxypropyl)amino]propyl] prop-2-enoate;phosphoric acid.
What is the SMILES notation for [2-methyl-1-[(2-methyl-1-prop-2-enoyloxypropyl)amino]propyl] prop-2-enoate;phosphoric acid?
The canonical SMILES for [2-methyl-1-[(2-methyl-1-prop-2-enoyloxypropyl)amino]propyl] prop-2-enoate;phosphoric acid is C=CC(=O)OC(NC(OC(=O)C=C)C(C)C)C(C)C.O=P(O)(O)O.
What is the InChIKey of [2-methyl-1-[(2-methyl-1-prop-2-enoyloxypropyl)amino]propyl] prop-2-enoate;phosphoric acid?
The InChIKey is PPAFPKXTLXPBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4.H3O4P/c1-7-11(16)18-13(9(3)4)15-14(10(5)6)19-12(17)8-2;1-5(2,3)4/h7-10,13-15H,1-2H2,3-6H3;(H3,1,2,3,4).
What are the key properties of [2-methyl-1-[(2-methyl-1-prop-2-enoyloxypropyl)amino]propyl] prop-2-enoate;phosphoric acid?
[2-methyl-1-[(2-methyl-1-prop-2-enoyloxypropyl)amino]propyl] prop-2-enoate;phosphoric acid has a molecular weight of 367.34 g/mol, XLogP of 1.07, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[(2-methyl-1-prop-2-enoyloxypropyl)amino]propyl] prop-2-enoate;phosphoric acid is sourced from PubChem (CID 174919478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).