carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium

C11H21N2O3+ — CID 3019214

IUPACcarboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
SMILESC=C(C)C(=O)NCCC[N+](C)(C)CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-9(2)11(16)12-6-5-7-13(3,4)8-10(14)15/h1,5-8H2,2-4H3,(H-,12,14,15,16)/p+1
InChIKeyYKUSCXGLCUEWME-UHFFFAOYSA-O
MW229.30 g/mol
LogP0.23
Rot. Bonds7

About carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium

carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium (PubChem CID 3019214) has the molecular formula C11H21N2O3+ and a molecular weight of 229.30 g/mol. Its IUPAC name is carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium.

Molecular Properties

Compound Namecarboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
PubChem CID3019214
Molecular FormulaC11H21N2O3+
Molecular Weight229.30 g/mol
Exact Mass229.15
IUPAC Namecarboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
SMILESC=C(C)C(=O)NCCC[N+](C)(C)CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-9(2)11(16)12-6-5-7-13(3,4)8-10(14)15/h1,5-8H2,2-4H3,(H-,12,14,15,16)/p+1
InChIKeyYKUSCXGLCUEWME-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]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

azane;chloromethane;dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-(2-oxobut-3-enyl)azanium
CID 174955703
trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 177404233
dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-octylazanium
CID 87318996
[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 89186109
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
carboxymethyl-ethyl-methyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 144752674
3-(carbamoylamino)propyl-(carboxymethyl)-dimethylazanium
CID 134504205
12-[dimethyl-(6-methyl-5-oxohept-6-enyl)azaniumyl]dodecyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium dibromide
CID 167613154
2-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]ethanesulfonate
CID 118856655
(2-carboxy-2-sulfoethyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 121335182
8-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]octane-1-sulfonate
CID 122622583

Frequently Asked Questions

What is the IUPAC name of carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium?
The IUPAC name of carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium (CID 3019214) is carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium.
What is the SMILES notation for carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium?
The canonical SMILES for carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium is C=C(C)C(=O)NCCC[N+](C)(C)CC(=O)O.
What is the InChIKey of carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium?
The InChIKey is YKUSCXGLCUEWME-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H20N2O3/c1-9(2)11(16)12-6-5-7-13(3,4)8-10(14)15/h1,5-8H2,2-4H3,(H-,12,14,15,16)/p+1.
What are the key properties of carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium?
carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]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-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium is sourced from PubChem (CID 3019214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).