2-[2-(2-hydroxyethoxy)ethoxy]ethyl 5-aminopentanoate

C11H23NO5 — CID 175059981

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl 5-aminopentanoate
SMILESNCCCCC(=O)OCCOCCOCCO
InChIInChI=1S/C11H23NO5/c12-4-2-1-3-11(14)17-10-9-16-8-7-15-6-5-13/h13H,1-10,12H2
InChIKeyHZAADVSYZQAFJG-UHFFFAOYSA-N
MW249.31 g/mol
LogP-0.32
Rot. Bonds12

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 5-aminopentanoate

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 5-aminopentanoate (PubChem CID 175059981) has the molecular formula C11H23NO5 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 5-aminopentanoate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 5-aminopentanoate
PubChem CID175059981
Molecular FormulaC11H23NO5
Molecular Weight249.31 g/mol
Exact Mass249.16
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 5-aminopentanoate
SMILESNCCCCC(=O)OCCOCCOCCO
InChIInChI=1S/C11H23NO5/c12-4-2-1-3-11(14)17-10-9-16-8-7-15-6-5-13/h13H,1-10,12H2
InChIKeyHZAADVSYZQAFJG-UHFFFAOYSA-N
XLogP-0.32
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

12-O-[2-[2-[2-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-12-oxododecanoyl]oxyethoxy]ethoxy]ethyl] 1-O-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] dodecanedioate
CID 102469729
6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate
CID 87303267
2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate
CID 118889300
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139595493
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139594206
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139595421
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139596714
2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate
CID 176892143
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hexadecanoate
CID 139595451
2-(3-methoxypropoxy)ethyl 6-aminohexanoate
CID 103178476
bis(3-hydroxypropyl) carbonate;bis(4-(4-hydroxybutoxy)butan-1-ol);1-O-[4-(2-hydroxyethoxy)butyl] 6-O-[2-(2-hydroxyethoxy)ethyl] hexanedioate
CID 159552787
bis(2-hydroxyethyl) heptanedioate
CID 58519890

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 5-aminopentanoate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 5-aminopentanoate (CID 175059981) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 5-aminopentanoate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 5-aminopentanoate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 5-aminopentanoate is NCCCCC(=O)OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 5-aminopentanoate?
The InChIKey is HZAADVSYZQAFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5/c12-4-2-1-3-11(14)17-10-9-16-8-7-15-6-5-13/h13H,1-10,12H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 5-aminopentanoate?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 5-aminopentanoate has a molecular weight of 249.31 g/mol, XLogP of -0.32, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 5-aminopentanoate is sourced from PubChem (CID 175059981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).