2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid

C7H15NO5S — CID 135283326

IUPAC2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid
SMILESC=C(C)C(=O)OCCN.CS(=O)(=O)O
InChIInChI=1S/C6H11NO2.CH4O3S/c1-5(2)6(8)9-4-3-7;1-5(2,3)4/h1,3-4,7H2,2H3;1H3,(H,2,3,4)
InChIKeyKVHAVGCFHDEWNN-UHFFFAOYSA-N
MW225.27 g/mol
LogP-0.43
Rot. Bonds3

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

2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid (PubChem CID 135283326) has the molecular formula C7H15NO5S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid.

Molecular Properties

Compound Name2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid
PubChem CID135283326
Molecular FormulaC7H15NO5S
Molecular Weight225.27 g/mol
Exact Mass225.07
IUPAC Name2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid
SMILESC=C(C)C(=O)OCCN.CS(=O)(=O)O
InChIInChI=1S/C6H11NO2.CH4O3S/c1-5(2)6(8)9-4-3-7;1-5(2,3)4/h1,3-4,7H2,2H3;1H3,(H,2,3,4)
InChIKeyKVHAVGCFHDEWNN-UHFFFAOYSA-N
XLogP-0.43
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-aminoethyl 2-methylprop-2-enoate;methane
CID 158487497
2-aminoethyl 2-methylprop-2-enoate;phosphoric acid
CID 86256248
2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 155355138
2-(2-aminoethoxy)ethyl 2-methylprop-2-enoate
CID 20573934
2-(2-methylprop-2-enoyloxy)ethanesulfonic acid;hydrate
CID 139744922
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
CID 87705635
CID 87705635
potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid
CID 173327634
2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 88900855
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
methanesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium
CID 159250913
hydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium
CID 53470662

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid?
The IUPAC name of 2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid (CID 135283326) is 2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid.
What is the SMILES notation for 2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid?
The canonical SMILES for 2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid is C=C(C)C(=O)OCCN.CS(=O)(=O)O.
What is the InChIKey of 2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid?
The InChIKey is KVHAVGCFHDEWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.CH4O3S/c1-5(2)6(8)9-4-3-7;1-5(2,3)4/h1,3-4,7H2,2H3;1H3,(H,2,3,4).
What are the key properties of 2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid?
2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid has a molecular weight of 225.27 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid is sourced from PubChem (CID 135283326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).