carboxymethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium

C16H32NO5+ — CID 101283302

IUPACcarboxymethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium
SMILESCCC/C=C/CCCOCC[N+](CCO)(CCO)CC(=O)O
InChIInChI=1S/C16H31NO5/c1-2-3-4-5-6-7-13-22-14-10-17(8-11-18,9-12-19)15-16(20)21/h4-5,18-19H,2-3,6-15H2,1H3/p+1/b5-4+
InChIKeyGSNWFSUAYFAMCX-SNAWJCMRSA-O
MW318.43 g/mol
LogP1.03
Rot. Bonds15

About carboxymethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium

carboxymethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium (PubChem CID 101283302) has the molecular formula C16H32NO5+ and a molecular weight of 318.43 g/mol. Its IUPAC name is carboxymethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium.

Molecular Properties

Compound Namecarboxymethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium
PubChem CID101283302
Molecular FormulaC16H32NO5+
Molecular Weight318.43 g/mol
Exact Mass318.23
IUPAC Namecarboxymethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium
SMILESCCC/C=C/CCCOCC[N+](CCO)(CCO)CC(=O)O
InChIInChI=1S/C16H31NO5/c1-2-3-4-5-6-7-13-22-14-10-17(8-11-18,9-12-19)15-16(20)21/h4-5,18-19H,2-3,6-15H2,1H3/p+1/b5-4+
InChIKeyGSNWFSUAYFAMCX-SNAWJCMRSA-O
XLogP1.03
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze carboxymethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]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

2-carboxyethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium
CID 101283358
2-carboxyethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-5-enoxy]ethyl]azanium
CID 101283359
carboxymethyl-bis(hydroxymethyl)-[2-[(E)-oct-6-enoxy]ethyl]azanium
CID 101283290
carboxymethyl-bis(hydroxymethyl)-(2-octoxyethyl)azanium
CID 101283267
bis(2-hydroxyethyl)-bis(2-tetradecoxyethyl)azanium
CID 101163800
bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium
CID 101163799
2-ethoxyacetic acid;non-4-ene
CID 175736299
2-[bis(carboxymethyl)-[(E)-docos-18-enyl]azaniumyl]acetate
CID 177422870
2-dodec-8-enoxyacetic acid
CID 175547698
calcium bis(3-[2-carboxyethyl-(2-hydroxyethyl)-[(E)-oct-4-enyl]azaniumyl]propanoate)
CID 101281806
tris(carboxymethyl)-(2-hydroxyethyl)azanium
CID 10331654
2-[bis(carboxymethyl)-[(E)-nonadec-14-enyl]azaniumyl]acetate
CID 177449697

Frequently Asked Questions

What is the IUPAC name of carboxymethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium?
The IUPAC name of carboxymethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium (CID 101283302) is carboxymethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium.
What is the SMILES notation for carboxymethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium?
The canonical SMILES for carboxymethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium is CCC/C=C/CCCOCC[N+](CCO)(CCO)CC(=O)O.
What is the InChIKey of carboxymethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium?
The InChIKey is GSNWFSUAYFAMCX-SNAWJCMRSA-O. The full InChI is InChI=1S/C16H31NO5/c1-2-3-4-5-6-7-13-22-14-10-17(8-11-18,9-12-19)15-16(20)21/h4-5,18-19H,2-3,6-15H2,1H3/p+1/b5-4+.
What are the key properties of carboxymethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium?
carboxymethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium has a molecular weight of 318.43 g/mol, XLogP of 1.03, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium is sourced from PubChem (CID 101283302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).