2-aminoethyl 2-methylprop-2-enoate;phosphoric acid

C6H14NO6P — CID 86256248

IUPAC2-aminoethyl 2-methylprop-2-enoate;phosphoric acid
SMILESC=C(C)C(=O)OCCN.O=P(O)(O)O
InChIInChI=1S/C6H11NO2.H3O4P/c1-5(2)6(8)9-4-3-7;1-5(2,3)4/h1,3-4,7H2,2H3;(H3,1,2,3,4)
InChIKeyQKEBBHMUKRODRW-UHFFFAOYSA-N
MW227.15 g/mol
LogP-0.86
Rot. Bonds3

About 2-aminoethyl 2-methylprop-2-enoate;phosphoric acid

2-aminoethyl 2-methylprop-2-enoate;phosphoric acid (PubChem CID 86256248) has the molecular formula C6H14NO6P and a molecular weight of 227.15 g/mol. Its IUPAC name is 2-aminoethyl 2-methylprop-2-enoate;phosphoric acid.

Molecular Properties

Compound Name2-aminoethyl 2-methylprop-2-enoate;phosphoric acid
PubChem CID86256248
Molecular FormulaC6H14NO6P
Molecular Weight227.15 g/mol
Exact Mass227.06
IUPAC Name2-aminoethyl 2-methylprop-2-enoate;phosphoric acid
SMILESC=C(C)C(=O)OCCN.O=P(O)(O)O
InChIInChI=1S/C6H11NO2.H3O4P/c1-5(2)6(8)9-4-3-7;1-5(2,3)4/h1,3-4,7H2,2H3;(H3,1,2,3,4)
InChIKeyQKEBBHMUKRODRW-UHFFFAOYSA-N
XLogP-0.86
TPSA130.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.15
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-aminoethyl 2-methylprop-2-enoate;phosphoric acid 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

2-aminoethyl 2-methylprop-2-enoate;methane
CID 158487497
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid
CID 135283326
2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 155355138
methyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphinic acid
CID 130373144
2-(2-aminoethoxy)ethyl 2-methylprop-2-enoate
CID 20573934
4-(2-methylprop-2-enoyloxy)butan-2-ylphosphonic acid
CID 87771040
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-dimethylphosphoryloxyethyl 2-methylprop-2-enoate
CID 54281312
bis[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid
CID 87234792
methyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid
CID 139843889
ethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 174621841

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2-methylprop-2-enoate;phosphoric acid?
The IUPAC name of 2-aminoethyl 2-methylprop-2-enoate;phosphoric acid (CID 86256248) is 2-aminoethyl 2-methylprop-2-enoate;phosphoric acid.
What is the SMILES notation for 2-aminoethyl 2-methylprop-2-enoate;phosphoric acid?
The canonical SMILES for 2-aminoethyl 2-methylprop-2-enoate;phosphoric acid is C=C(C)C(=O)OCCN.O=P(O)(O)O.
What is the InChIKey of 2-aminoethyl 2-methylprop-2-enoate;phosphoric acid?
The InChIKey is QKEBBHMUKRODRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.H3O4P/c1-5(2)6(8)9-4-3-7;1-5(2,3)4/h1,3-4,7H2,2H3;(H3,1,2,3,4).
What are the key properties of 2-aminoethyl 2-methylprop-2-enoate;phosphoric acid?
2-aminoethyl 2-methylprop-2-enoate;phosphoric acid has a molecular weight of 227.15 g/mol, XLogP of -0.86, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2-methylprop-2-enoate;phosphoric acid is sourced from PubChem (CID 86256248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).