(3-methoxy-1-phosphonopropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

C12H25NO6P+ — CID 90269140

IUPAC(3-methoxy-1-phosphonopropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OCC[N+](C)(C)C(CCOC)P(=O)(O)O
InChIInChI=1S/C12H24NO6P/c1-10(2)12(14)19-9-7-13(3,4)11(6-8-18-5)20(15,16)17/h11H,1,6-9H2,2-5H3,(H-,15,16,17)/p+1
InChIKeyRHWKGXPNXRBEQT-UHFFFAOYSA-O
MW310.31 g/mol
LogP0.72
Rot. Bonds9

About (3-methoxy-1-phosphonopropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

(3-methoxy-1-phosphonopropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (PubChem CID 90269140) has the molecular formula C12H25NO6P+ and a molecular weight of 310.31 g/mol. Its IUPAC name is (3-methoxy-1-phosphonopropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.

Molecular Properties

Compound Name(3-methoxy-1-phosphonopropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
PubChem CID90269140
Molecular FormulaC12H25NO6P+
Molecular Weight310.31 g/mol
Exact Mass310.14
IUPAC Name(3-methoxy-1-phosphonopropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OCC[N+](C)(C)C(CCOC)P(=O)(O)O
InChIInChI=1S/C12H24NO6P/c1-10(2)12(14)19-9-7-13(3,4)11(6-8-18-5)20(15,16)17/h11H,1,6-9H2,2-5H3,(H-,15,16,17)/p+1
InChIKeyRHWKGXPNXRBEQT-UHFFFAOYSA-O
XLogP0.72
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (3-methoxy-1-phosphonopropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methylprop-2-enoyloxy)butan-2-ylphosphonic acid
CID 87771040
(1-carboxy-2,2,2-trifluoroethyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 170638923
ethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 174621841
2-[bis[2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]ethoxy]phosphoryloxy]ethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 139511941
[2-methyl-4-(2-methylprop-2-enoyloxy)butyl]phosphonic acid
CID 139818991
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22918033
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 162171139
2-[hydroxy(2-methoxyethoxy)phosphoryl]oxyethyl-dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium
CID 89310948
2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 6455489
tris(trimethyl-[4-(2-methylprop-2-enoyloxy)butan-2-yl]azanium);phosphate
CID 174564236
2-aminoethyl 2-methylprop-2-enoate;phosphoric acid
CID 86256248

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-phosphonopropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The IUPAC name of (3-methoxy-1-phosphonopropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (CID 90269140) is (3-methoxy-1-phosphonopropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.
What is the SMILES notation for (3-methoxy-1-phosphonopropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The canonical SMILES for (3-methoxy-1-phosphonopropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is C=C(C)C(=O)OCC[N+](C)(C)C(CCOC)P(=O)(O)O.
What is the InChIKey of (3-methoxy-1-phosphonopropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The InChIKey is RHWKGXPNXRBEQT-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H24NO6P/c1-10(2)12(14)19-9-7-13(3,4)11(6-8-18-5)20(15,16)17/h11H,1,6-9H2,2-5H3,(H-,15,16,17)/p+1.
What are the key properties of (3-methoxy-1-phosphonopropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
(3-methoxy-1-phosphonopropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium has a molecular weight of 310.31 g/mol, XLogP of 0.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-phosphonopropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is sourced from PubChem (CID 90269140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).