5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid

C16H33NO6 — CID 137483570

IUPAC5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid
SMILESNCCCCCOCCOCCOCCOCCCCC(=O)O
InChIInChI=1S/C16H33NO6/c17-7-3-1-4-8-20-10-12-22-14-15-23-13-11-21-9-5-2-6-16(18)19/h1-15,17H2,(H,18,19)
InChIKeyVIHWJDFQYCFUEM-UHFFFAOYSA-N
MW335.44 g/mol
LogP1.44
Rot. Bonds19

About 5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid

5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid (PubChem CID 137483570) has the molecular formula C16H33NO6 and a molecular weight of 335.44 g/mol. Its IUPAC name is 5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid.

Molecular Properties

Compound Name5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid
PubChem CID137483570
Molecular FormulaC16H33NO6
Molecular Weight335.44 g/mol
Exact Mass335.23
IUPAC Name5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid
SMILESNCCCCCOCCOCCOCCOCCCCC(=O)O
InChIInChI=1S/C16H33NO6/c17-7-3-1-4-8-20-10-12-22-14-15-23-13-11-21-9-5-2-6-16(18)19/h1-15,17H2,(H,18,19)
InChIKeyVIHWJDFQYCFUEM-UHFFFAOYSA-N
XLogP1.44
TPSA100.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 51.44
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

8-(3-carboxypropoxy)octanoic acid
CID 154155651
heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
4-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
CID 175454355
6-aminohexanoic acid;zinc
CID 175049463
12-aminododecanoic acid;hydrochloride
CID 12651573
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981
6-aminohexanoic acid;3-aminopropanoic acid
CID 87186200
11-aminoundecanoic acid;ethane
CID 144914161
acetylene;6-aminohexanoic acid
CID 143110448
12-aminododecanoic acid;carbamic acid
CID 157488032
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid?
The IUPAC name of 5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid (CID 137483570) is 5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid.
What is the SMILES notation for 5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid?
The canonical SMILES for 5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid is NCCCCCOCCOCCOCCOCCCCC(=O)O.
What is the InChIKey of 5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid?
The InChIKey is VIHWJDFQYCFUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO6/c17-7-3-1-4-8-20-10-12-22-14-15-23-13-11-21-9-5-2-6-16(18)19/h1-15,17H2,(H,18,19).
What are the key properties of 5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid?
5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid has a molecular weight of 335.44 g/mol, XLogP of 1.44, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid is sourced from PubChem (CID 137483570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).