[1-hydroxy-3-[2-(2-methoxyethoxy)ethoxycarbonyloxy]propan-2-yl]azanium

C9H20NO6+ — CID 123878307

IUPAC[1-hydroxy-3-[2-(2-methoxyethoxy)ethoxycarbonyloxy]propan-2-yl]azanium
SMILESCOCCOCCOC(=O)OCC([NH3+])CO
InChIInChI=1S/C9H19NO6/c1-13-2-3-14-4-5-15-9(12)16-7-8(10)6-11/h8,11H,2-7,10H2,1H3/p+1
InChIKeyNDSQSMCZZCALTN-UHFFFAOYSA-O
MW238.26 g/mol
LogP-1.59
Rot. Bonds9

About [1-hydroxy-3-[2-(2-methoxyethoxy)ethoxycarbonyloxy]propan-2-yl]azanium

[1-hydroxy-3-[2-(2-methoxyethoxy)ethoxycarbonyloxy]propan-2-yl]azanium (PubChem CID 123878307) has the molecular formula C9H20NO6+ and a molecular weight of 238.26 g/mol. Its IUPAC name is [1-hydroxy-3-[2-(2-methoxyethoxy)ethoxycarbonyloxy]propan-2-yl]azanium.

Molecular Properties

Compound Name[1-hydroxy-3-[2-(2-methoxyethoxy)ethoxycarbonyloxy]propan-2-yl]azanium
PubChem CID123878307
Molecular FormulaC9H20NO6+
Molecular Weight238.26 g/mol
Exact Mass238.13
IUPAC Name[1-hydroxy-3-[2-(2-methoxyethoxy)ethoxycarbonyloxy]propan-2-yl]azanium
SMILESCOCCOCCOC(=O)OCC([NH3+])CO
InChIInChI=1S/C9H19NO6/c1-13-2-3-14-4-5-15-9(12)16-7-8(10)6-11/h8,11H,2-7,10H2,1H3/p+1
InChIKeyNDSQSMCZZCALTN-UHFFFAOYSA-O
XLogP-1.59
TPSA101.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-hydroxy-3-[2-(2-methoxyethoxy)ethoxycarbonyloxy]propan-2-yl]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

ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl carbonate
CID 87247724
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate
CID 58205614
4-(2-methoxyethoxy)butyl methyl carbonate
CID 87247594
2-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-1-ol
CID 112704571
[(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate
CID 129387102
diethyl carbonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-methoxy-2-(2-methoxyethoxy)ethane
CID 174866576
carboxyoxy 2-(2-methoxyethoxy)ethyl carbonate
CID 118305942
5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate
CID 91693764
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol
CID 162081767
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87539702

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-3-[2-(2-methoxyethoxy)ethoxycarbonyloxy]propan-2-yl]azanium?
The IUPAC name of [1-hydroxy-3-[2-(2-methoxyethoxy)ethoxycarbonyloxy]propan-2-yl]azanium (CID 123878307) is [1-hydroxy-3-[2-(2-methoxyethoxy)ethoxycarbonyloxy]propan-2-yl]azanium.
What is the SMILES notation for [1-hydroxy-3-[2-(2-methoxyethoxy)ethoxycarbonyloxy]propan-2-yl]azanium?
The canonical SMILES for [1-hydroxy-3-[2-(2-methoxyethoxy)ethoxycarbonyloxy]propan-2-yl]azanium is COCCOCCOC(=O)OCC([NH3+])CO.
What is the InChIKey of [1-hydroxy-3-[2-(2-methoxyethoxy)ethoxycarbonyloxy]propan-2-yl]azanium?
The InChIKey is NDSQSMCZZCALTN-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19NO6/c1-13-2-3-14-4-5-15-9(12)16-7-8(10)6-11/h8,11H,2-7,10H2,1H3/p+1.
What are the key properties of [1-hydroxy-3-[2-(2-methoxyethoxy)ethoxycarbonyloxy]propan-2-yl]azanium?
[1-hydroxy-3-[2-(2-methoxyethoxy)ethoxycarbonyloxy]propan-2-yl]azanium has a molecular weight of 238.26 g/mol, XLogP of -1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-3-[2-(2-methoxyethoxy)ethoxycarbonyloxy]propan-2-yl]azanium is sourced from PubChem (CID 123878307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).