azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid

C18H40N3O4+ — CID 23173744

IUPACazanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
SMILESCCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)O.[NH4+]
InChIInChI=1S/C18H36N2O4.H3N/c1-2-3-4-5-6-7-8-9-10-11-17(22)19-12-13-20(14-15-21)16-18(23)24;/h21H,2-16H2,1H3,(H,19,22)(H,23,24);1H3/p+1
InChIKeyFBUIZEKHCRBPMJ-UHFFFAOYSA-O
MW362.54 g/mol
LogP2.78
Rot. Bonds17

About azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid

azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid (PubChem CID 23173744) has the molecular formula C18H40N3O4+ and a molecular weight of 362.54 g/mol. Its IUPAC name is azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid.

Molecular Properties

Compound Nameazanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
PubChem CID23173744
Molecular FormulaC18H40N3O4+
Molecular Weight362.54 g/mol
Exact Mass362.30
IUPAC Nameazanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
SMILESCCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)O.[NH4+]
InChIInChI=1S/C18H36N2O4.H3N/c1-2-3-4-5-6-7-8-9-10-11-17(22)19-12-13-20(14-15-21)16-18(23)24;/h21H,2-16H2,1H3,(H,19,22)(H,23,24);1H3/p+1
InChIKeyFBUIZEKHCRBPMJ-UHFFFAOYSA-O
XLogP2.78
TPSA126.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
CID 22359060
sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride
CID 173090653
N-[2-[bis(2-hydroxyethyl)amino]ethyl]henicosanamide
CID 102116577
sodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate
CID 23668680
sodium 2-[2-hydroxyethyl-[2-(undecanoylamino)ethyl]amino]acetate
CID 141154076
2-[2-(carboxymethoxy)ethyl-[2-(tetradecanoylamino)ethyl]amino]acetic acid
CID 76965788
2-[2-(carboxymethoxy)ethyl-[2-(hexanoylamino)ethyl]amino]acetic acid
CID 135346649
sodium 2-[2-hydroxyethyl-[2-(octadec-9-enoylamino)ethyl]amino]acetate
CID 57356269
(E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide
CID 6437128
N-[2-(dibutylamino)ethyl]dodecanamide
CID 23372327
N-[2-(dipropylamino)ethyl]hexadecanamide
CID 19068804
N-[2-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]ethyl]tetradecanamide
CID 155083884

Frequently Asked Questions

What is the IUPAC name of azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid?
The IUPAC name of azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid (CID 23173744) is azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid.
What is the SMILES notation for azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid?
The canonical SMILES for azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid is CCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)O.[NH4+].
What is the InChIKey of azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid?
The InChIKey is FBUIZEKHCRBPMJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H36N2O4.H3N/c1-2-3-4-5-6-7-8-9-10-11-17(22)19-12-13-20(14-15-21)16-18(23)24;/h21H,2-16H2,1H3,(H,19,22)(H,23,24);1H3/p+1.
What are the key properties of azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid?
azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid has a molecular weight of 362.54 g/mol, XLogP of 2.78, 17 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid is sourced from PubChem (CID 23173744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).