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

C12H23N2O3+ — CID 59243744

IUPAC(2-methoxy-2-oxoethyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
SMILESC=C(C)C(=O)NCCC[N+](C)(C)CC(=O)OC
InChIInChI=1S/C12H22N2O3/c1-10(2)12(16)13-7-6-8-14(3,4)9-11(15)17-5/h1,6-9H2,2-5H3/p+1
InChIKeyGDPAPNOGSMAIGH-UHFFFAOYSA-O
MW243.33 g/mol
LogP0.32
Rot. Bonds7

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

(2-methoxy-2-oxoethyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium (PubChem CID 59243744) has the molecular formula C12H23N2O3+ and a molecular weight of 243.33 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
PubChem CID59243744
Molecular FormulaC12H23N2O3+
Molecular Weight243.33 g/mol
Exact Mass243.17
IUPAC Name(2-methoxy-2-oxoethyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
SMILESC=C(C)C(=O)NCCC[N+](C)(C)CC(=O)OC
InChIInChI=1S/C12H22N2O3/c1-10(2)12(16)13-7-6-8-14(3,4)9-11(15)17-5/h1,6-9H2,2-5H3/p+1
InChIKeyGDPAPNOGSMAIGH-UHFFFAOYSA-O
XLogP0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2-methoxy-2-oxoethyl)-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

N-Tiglylglycine methyl ester
CID 5367753
Methyl 2-methacrylamidoacetate
CID 15150355
1-Propanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-3-((2-methyl-1-oxo-2-propen-1-yl)amino)-, acetate (1:1)
CID 172680
methacryloyl-DL-alanine methyl ester
CID 21806553
2-(3-Acrylamidopropyldimethylammonio)-ethanoate
CID 88156722
N-(N,N-dicarboxymethylaminopropyl)methacrylamide
CID 129856324
N-(2-butanoyloxyethyl) methacrylamide
CID 135363148
(Carboxymethyl)dimethyl-3-((2-methyl-1-oxoallyl)amino)propylammonium hydroxide
CID 3019213
(3-Methoxy-3-oxopropyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 134994267
Methyl 2-(2-methylbut-2-enoylamino)acetate
CID 557917
Carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 3019214
N-(Carboxymethyl)-N,N-dimethyl-3-[(methacryloyl)amino]-1-propanaminium, inner salt
CID 11368171

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium?
The IUPAC name of (2-methoxy-2-oxoethyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium (CID 59243744) is (2-methoxy-2-oxoethyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium.
What is the SMILES notation for (2-methoxy-2-oxoethyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium?
The canonical SMILES for (2-methoxy-2-oxoethyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium is C=C(C)C(=O)NCCC[N+](C)(C)CC(=O)OC.
What is the InChIKey of (2-methoxy-2-oxoethyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium?
The InChIKey is GDPAPNOGSMAIGH-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H22N2O3/c1-10(2)12(16)13-7-6-8-14(3,4)9-11(15)17-5/h1,6-9H2,2-5H3/p+1.
What are the key properties of (2-methoxy-2-oxoethyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium?
(2-methoxy-2-oxoethyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium has a molecular weight of 243.33 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium is sourced from PubChem (CID 59243744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).