2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate

C12H25NO6 — CID 169082303

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate
SMILESCOCCOCCOCCOCCOC(=O)CCN
InChIInChI=1S/C12H25NO6/c1-15-4-5-16-6-7-17-8-9-18-10-11-19-12(14)2-3-13/h2-11,13H2,1H3
InChIKeyRZROTIZVERHYHJ-UHFFFAOYSA-N
MW279.33 g/mol
LogP-0.43
Rot. Bonds14

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate (PubChem CID 169082303) has the molecular formula C12H25NO6 and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate
PubChem CID169082303
Molecular FormulaC12H25NO6
Molecular Weight279.33 g/mol
Exact Mass279.17
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate
SMILESCOCCOCCOCCOCCOC(=O)CCN
InChIInChI=1S/C12H25NO6/c1-15-4-5-16-6-7-17-8-9-18-10-11-19-12(14)2-3-13/h2-11,13H2,1H3
InChIKeyRZROTIZVERHYHJ-UHFFFAOYSA-N
XLogP-0.43
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate
CID 104562890
2-(3-methoxypropoxy)ethyl 6-aminohexanoate
CID 103178476
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 58409057
2-acetyloxyethyl 3-aminopropanoate
CID 22321345
2-(2-methoxyethoxy)ethyl dodecanoate
CID 10990309
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
CID 70881793
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate
CID 125484596
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane
CID 173439271
4-O-benzyl 1-O-[2-(2-methoxyethoxy)ethyl] butanedioate
CID 71416841
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 18764651
2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 90396446
2-methoxyethyl 5-methoxypentanoate
CID 58454735

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate (CID 169082303) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate is COCCOCCOCCOCCOC(=O)CCN.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate?
The InChIKey is RZROTIZVERHYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO6/c1-15-4-5-16-6-7-17-8-9-18-10-11-19-12(14)2-3-13/h2-11,13H2,1H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate has a molecular weight of 279.33 g/mol, XLogP of -0.43, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate is sourced from PubChem (CID 169082303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).