carboxymethyl-ethyl-methyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium

C11H21N2O3+ — CID 144752674

IUPACcarboxymethyl-ethyl-methyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
SMILESC=C(C)C(=O)NCC[N+](C)(CC)CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-5-13(4,8-10(14)15)7-6-12-11(16)9(2)3/h2,5-8H2,1,3-4H3,(H-,12,14,15,16)/p+1
InChIKeyACPMUZLELADOGH-UHFFFAOYSA-O
MW229.30 g/mol
LogP0.23
Rot. Bonds7

About carboxymethyl-ethyl-methyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium

carboxymethyl-ethyl-methyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium (PubChem CID 144752674) has the molecular formula C11H21N2O3+ and a molecular weight of 229.30 g/mol. Its IUPAC name is carboxymethyl-ethyl-methyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium.

Molecular Properties

Compound Namecarboxymethyl-ethyl-methyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
PubChem CID144752674
Molecular FormulaC11H21N2O3+
Molecular Weight229.30 g/mol
Exact Mass229.15
IUPAC Namecarboxymethyl-ethyl-methyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
SMILESC=C(C)C(=O)NCC[N+](C)(CC)CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-5-13(4,8-10(14)15)7-6-12-11(16)9(2)3/h2,5-8H2,1,3-4H3,(H-,12,14,15,16)/p+1
InChIKeyACPMUZLELADOGH-UHFFFAOYSA-O
XLogP0.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 3019214
triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 18000449
trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide
CID 118388931
bis(triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium);sulfate
CID 139839973
2-carboxyethyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;2-(trimethylazaniumyl)acetate
CID 22178957
trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 177404233
hydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 118388929
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
benzyl-diethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium bromide
CID 155773845
N,N-dimethyl-3-(2-methylprop-2-enoylamino)propan-1-amine oxide
CID 87182014
azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride
CID 172822274

Frequently Asked Questions

What is the IUPAC name of carboxymethyl-ethyl-methyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium?
The IUPAC name of carboxymethyl-ethyl-methyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium (CID 144752674) is carboxymethyl-ethyl-methyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium.
What is the SMILES notation for carboxymethyl-ethyl-methyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium?
The canonical SMILES for carboxymethyl-ethyl-methyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium is C=C(C)C(=O)NCC[N+](C)(CC)CC(=O)O.
What is the InChIKey of carboxymethyl-ethyl-methyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium?
The InChIKey is ACPMUZLELADOGH-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H20N2O3/c1-5-13(4,8-10(14)15)7-6-12-11(16)9(2)3/h2,5-8H2,1,3-4H3,(H-,12,14,15,16)/p+1.
What are the key properties of carboxymethyl-ethyl-methyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium?
carboxymethyl-ethyl-methyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium has a molecular weight of 229.30 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-ethyl-methyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium is sourced from PubChem (CID 144752674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).