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

C11H21N2O3+ — CID 42601505

IUPAC(2-methoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium
SMILESC=CC(=O)NCCC[N+](C)(C)CC(=O)OC
InChIInChI=1S/C11H20N2O3/c1-5-10(14)12-7-6-8-13(2,3)9-11(15)16-4/h5H,1,6-9H2,2-4H3/p+1
InChIKeyJXOGYTYGDNJJQI-UHFFFAOYSA-O
MW229.30 g/mol
LogP-0.07
Rot. Bonds7

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

(2-methoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium (PubChem CID 42601505) has the molecular formula C11H21N2O3+ and a molecular weight of 229.30 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium
PubChem CID42601505
Molecular FormulaC11H21N2O3+
Molecular Weight229.30 g/mol
Exact Mass229.15
IUPAC Name(2-methoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium
SMILESC=CC(=O)NCCC[N+](C)(C)CC(=O)OC
InChIInChI=1S/C11H20N2O3/c1-5-10(14)12-7-6-8-13(2,3)9-11(15)16-4/h5H,1,6-9H2,2-4H3/p+1
InChIKeyJXOGYTYGDNJJQI-UHFFFAOYSA-O
XLogP-0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.07
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'}

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Related Compounds

Acrylylglycine, methyl ester
CID 6429410
N,N'-bis[(s)-1-methoxycarbonylethyl]fumaric diamide
CID 102252315
N-acryloylglycine ethyl ester
CID 21721258
2-(3-Acrylamidopropyldimethylammonio)-ethanoate
CID 88156722
Methyl 2-acryloylaminobutanoate
CID 129752921
3-[(3-Acrylamidopropyl)dimethylammonium] propanoate
CID 169093048
ethyl 2-[[(E)-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobut-2-enoyl]amino]acetate
CID 121010917
N-(Carboxymethyl)-N,N-dimethyl-3-[(methacryloyl)amino]-1-propanaminium, inner salt
CID 11368171
(2-Ethoxy-2-oxoethyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 21026670
Trimethyl-[3-(prop-2-enoylamino)propyl]azanium acetate
CID 21902279
1-Carboxyethyl-dimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 22413876
Carboxymethyl-dimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 22706909

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium?
The IUPAC name of (2-methoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium (CID 42601505) is (2-methoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium.
What is the SMILES notation for (2-methoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium?
The canonical SMILES for (2-methoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium is C=CC(=O)NCCC[N+](C)(C)CC(=O)OC.
What is the InChIKey of (2-methoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium?
The InChIKey is JXOGYTYGDNJJQI-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H20N2O3/c1-5-10(14)12-7-6-8-13(2,3)9-11(15)16-4/h5H,1,6-9H2,2-4H3/p+1.
What are the key properties of (2-methoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium?
(2-methoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium has a molecular weight of 229.30 g/mol, XLogP of -0.07, 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-(prop-2-enoylamino)propyl]azanium is sourced from PubChem (CID 42601505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).