azane;2-[bis(carboxymethyl)-(2-ethoxy-2-oxoethyl)azaniumyl]acetate

C10H18N2O8 — CID 173407569

IUPACazane;2-[bis(carboxymethyl)-(2-ethoxy-2-oxoethyl)azaniumyl]acetate
SMILESCCOC(=O)C[N+](CC(=O)[O-])(CC(=O)O)CC(=O)O.N
InChIInChI=1S/C10H15NO8.H3N/c1-2-19-10(18)6-11(3-7(12)13,4-8(14)15)5-9(16)17;/h2-6H2,1H3,(H2-,12,13,14,15,16,17);1H3
InChIKeyQWXHQIDEKQCAOE-UHFFFAOYSA-N
MW294.26 g/mol
LogP-2.55
Rot. Bonds9

About azane;2-[bis(carboxymethyl)-(2-ethoxy-2-oxoethyl)azaniumyl]acetate

azane;2-[bis(carboxymethyl)-(2-ethoxy-2-oxoethyl)azaniumyl]acetate (PubChem CID 173407569) has the molecular formula C10H18N2O8 and a molecular weight of 294.26 g/mol. Its IUPAC name is azane;2-[bis(carboxymethyl)-(2-ethoxy-2-oxoethyl)azaniumyl]acetate.

Molecular Properties

Compound Nameazane;2-[bis(carboxymethyl)-(2-ethoxy-2-oxoethyl)azaniumyl]acetate
PubChem CID173407569
Molecular FormulaC10H18N2O8
Molecular Weight294.26 g/mol
Exact Mass294.11
IUPAC Nameazane;2-[bis(carboxymethyl)-(2-ethoxy-2-oxoethyl)azaniumyl]acetate
SMILESCCOC(=O)C[N+](CC(=O)[O-])(CC(=O)O)CC(=O)O.N
InChIInChI=1S/C10H15NO8.H3N/c1-2-19-10(18)6-11(3-7(12)13,4-8(14)15)5-9(16)17;/h2-6H2,1H3,(H2-,12,13,14,15,16,17);1H3
InChIKeyQWXHQIDEKQCAOE-UHFFFAOYSA-N
XLogP-2.55
TPSA176.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 5-2.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

azane;3-ethoxy-3-oxopropanoic acid
CID 173322885
(2-ethoxy-2-oxoethyl)-dimethyl-(113C)methylazanium iodide
CID 169440082
zinc 3-ethoxy-3-oxopropanoic acid
CID 24997498
3-ethoxy-3-oxopropanoic acid chloride
CID 21107838
2-[bis(carboxymethyl)-[(E)-docos-18-enyl]azaniumyl]acetate
CID 177422870
2-[bis(carboxymethyl)-[(E)-tetracos-11-enyl]azaniumyl]acetate
CID 177456430
2-[bis(carboxymethyl)-[(E)-nonadec-14-enyl]azaniumyl]acetate
CID 177449697
dipotassium bis(5-ethoxy-5-oxopentanoate)
CID 141062236
ethyl hydrogen carbonate;sulfane
CID 174718172
(2-ethoxy-2-oxoethyl)-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium
CID 143427975
ethyl 2-fluoroacetate;propanoic acid
CID 175746164
benzene;4-ethoxy-4-oxobutanoic acid
CID 67333370

Frequently Asked Questions

What is the IUPAC name of azane;2-[bis(carboxymethyl)-(2-ethoxy-2-oxoethyl)azaniumyl]acetate?
The IUPAC name of azane;2-[bis(carboxymethyl)-(2-ethoxy-2-oxoethyl)azaniumyl]acetate (CID 173407569) is azane;2-[bis(carboxymethyl)-(2-ethoxy-2-oxoethyl)azaniumyl]acetate.
What is the SMILES notation for azane;2-[bis(carboxymethyl)-(2-ethoxy-2-oxoethyl)azaniumyl]acetate?
The canonical SMILES for azane;2-[bis(carboxymethyl)-(2-ethoxy-2-oxoethyl)azaniumyl]acetate is CCOC(=O)C[N+](CC(=O)[O-])(CC(=O)O)CC(=O)O.N.
What is the InChIKey of azane;2-[bis(carboxymethyl)-(2-ethoxy-2-oxoethyl)azaniumyl]acetate?
The InChIKey is QWXHQIDEKQCAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO8.H3N/c1-2-19-10(18)6-11(3-7(12)13,4-8(14)15)5-9(16)17;/h2-6H2,1H3,(H2-,12,13,14,15,16,17);1H3.
What are the key properties of azane;2-[bis(carboxymethyl)-(2-ethoxy-2-oxoethyl)azaniumyl]acetate?
azane;2-[bis(carboxymethyl)-(2-ethoxy-2-oxoethyl)azaniumyl]acetate has a molecular weight of 294.26 g/mol, XLogP of -2.55, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[bis(carboxymethyl)-(2-ethoxy-2-oxoethyl)azaniumyl]acetate is sourced from PubChem (CID 173407569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).