carboxymethyl-decoxycarbonyl-dimethylazanium

C15H30NO4+ — CID 91366326

IUPACcarboxymethyl-decoxycarbonyl-dimethylazanium
SMILESCCCCCCCCCCOC(=O)[N+](C)(C)CC(=O)O
InChIInChI=1S/C15H29NO4/c1-4-5-6-7-8-9-10-11-12-20-15(19)16(2,3)13-14(17)18/h4-13H2,1-3H3/p+1
InChIKeyPQPGALDZIYQMOA-UHFFFAOYSA-O
MW288.41 g/mol
LogP3.42
Rot. Bonds11

About carboxymethyl-decoxycarbonyl-dimethylazanium

carboxymethyl-decoxycarbonyl-dimethylazanium (PubChem CID 91366326) has the molecular formula C15H30NO4+ and a molecular weight of 288.41 g/mol. Its IUPAC name is carboxymethyl-decoxycarbonyl-dimethylazanium.

Molecular Properties

Compound Namecarboxymethyl-decoxycarbonyl-dimethylazanium
PubChem CID91366326
Molecular FormulaC15H30NO4+
Molecular Weight288.41 g/mol
Exact Mass288.22
IUPAC Namecarboxymethyl-decoxycarbonyl-dimethylazanium
SMILESCCCCCCCCCCOC(=O)[N+](C)(C)CC(=O)O
InChIInChI=1S/C15H29NO4/c1-4-5-6-7-8-9-10-11-12-20-15(19)16(2,3)13-14(17)18/h4-13H2,1-3H3/p+1
InChIKeyPQPGALDZIYQMOA-UHFFFAOYSA-O
XLogP3.42
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Carboxymethyl-dodecoxycarbonyl-dimethylazanium
CID 91083151
Glycine, N-methyl-N-methoxycarbonyl-, undecyl ester
CID 91703018
Glycine, N-methyl-N-methoxycarbonyl-, pentadecyl ester
CID 91703019
Glycine, N-methyl-N-methoxycarbonyl-, tetradecyl ester
CID 91703020
Glycine, N-methyl-N-methoxycarbonyl-, hexadecyl ester
CID 91703021
Glycine, N-methyl-N-methoxycarbonyl-, heptadecyl ester
CID 91703022
Glycine, N-methyl-N-methoxycarbonyl-, octadecyl ester
CID 91703023
Glycine, N-methyl-N-methoxycarbonyl-, heptyl ester
CID 91703031
Glycine, N-methyl-N-methoxycarbonyl-, octyl ester
CID 91703032
Glycine, N-methyl-N-methoxycarbonyl-, nonyl ester
CID 91703033
Glycine, N-methyl-N-methoxycarbonyl-, decyl ester
CID 91703034
Glycine, N-methyl-N-ethoxycarbonyl-, hexyl ester
CID 91709590

Frequently Asked Questions

What is the IUPAC name of carboxymethyl-decoxycarbonyl-dimethylazanium?
The IUPAC name of carboxymethyl-decoxycarbonyl-dimethylazanium (CID 91366326) is carboxymethyl-decoxycarbonyl-dimethylazanium.
What is the SMILES notation for carboxymethyl-decoxycarbonyl-dimethylazanium?
The canonical SMILES for carboxymethyl-decoxycarbonyl-dimethylazanium is CCCCCCCCCCOC(=O)[N+](C)(C)CC(=O)O.
What is the InChIKey of carboxymethyl-decoxycarbonyl-dimethylazanium?
The InChIKey is PQPGALDZIYQMOA-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H29NO4/c1-4-5-6-7-8-9-10-11-12-20-15(19)16(2,3)13-14(17)18/h4-13H2,1-3H3/p+1.
What are the key properties of carboxymethyl-decoxycarbonyl-dimethylazanium?
carboxymethyl-decoxycarbonyl-dimethylazanium has a molecular weight of 288.41 g/mol, XLogP of 3.42, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-decoxycarbonyl-dimethylazanium is sourced from PubChem (CID 91366326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).