sodium 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate

C9H18NNaO5 — CID 164599444

IUPACsodium 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate
SMILESNCCOCCOCCOCCC(=O)[O-].[Na+]
InChIInChI=1S/C9H19NO5.Na/c10-2-4-14-6-8-15-7-5-13-3-1-9(11)12;/h1-8,10H2,(H,11,12);/q;+1/p-1
InChIKeyNYPNFKYILNSUJR-UHFFFAOYSA-M
MW243.23 g/mol
LogP-4.86
Rot. Bonds11

About sodium 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate

sodium 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate (PubChem CID 164599444) has the molecular formula C9H18NNaO5 and a molecular weight of 243.23 g/mol. Its IUPAC name is sodium 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Namesodium 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate
PubChem CID164599444
Molecular FormulaC9H18NNaO5
Molecular Weight243.23 g/mol
Exact Mass243.11
IUPAC Namesodium 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate
SMILESNCCOCCOCCOCCC(=O)[O-].[Na+]
InChIInChI=1S/C9H19NO5.Na/c10-2-4-14-6-8-15-7-5-13-3-1-9(11)12;/h1-8,10H2,(H,11,12);/q;+1/p-1
InChIKeyNYPNFKYILNSUJR-UHFFFAOYSA-M
XLogP-4.86
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 5-4.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetate
CID 23086951
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 53433573
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 119058379
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 122361149
2-[2-(2-aminoethoxy)ethoxy]ethanamine;butanediamide
CID 87072841
methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 100910535
3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide
CID 126480543
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide
CID 126651556
methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride
CID 172915982
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl carbamate
CID 118597467
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 160630926
4-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
CID 175454355

Frequently Asked Questions

What is the IUPAC name of sodium 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate?
The IUPAC name of sodium 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate (CID 164599444) is sodium 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate.
What is the SMILES notation for sodium 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate?
The canonical SMILES for sodium 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate is NCCOCCOCCOCCC(=O)[O-].[Na+].
What is the InChIKey of sodium 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate?
The InChIKey is NYPNFKYILNSUJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19NO5.Na/c10-2-4-14-6-8-15-7-5-13-3-1-9(11)12;/h1-8,10H2,(H,11,12);/q;+1/p-1.
What are the key properties of sodium 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate?
sodium 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate has a molecular weight of 243.23 g/mol, XLogP of -4.86, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate is sourced from PubChem (CID 164599444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).