3-[2-[2-[2-[2-[3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

C17H35NO7 — CID 156873078

IUPAC3-[2-[2-[2-[2-[3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
SMILESCCCNCCCOCCOCCOCCOCCOCCC(=O)O
InChIInChI=1S/C17H35NO7/c1-2-5-18-6-3-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-4-17(19)20/h18H,2-16H2,1H3,(H,19,20)
InChIKeyQILUWBLSKROYIX-UHFFFAOYSA-N
MW365.47 g/mol
LogP0.93
Rot. Bonds21

About 3-[2-[2-[2-[2-[3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

3-[2-[2-[2-[2-[3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 156873078) has the molecular formula C17H35NO7 and a molecular weight of 365.47 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
PubChem CID156873078
Molecular FormulaC17H35NO7
Molecular Weight365.47 g/mol
Exact Mass365.24
IUPAC Name3-[2-[2-[2-[2-[3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
SMILESCCCNCCCOCCOCCOCCOCCOCCC(=O)O
InChIInChI=1S/C17H35NO7/c1-2-5-18-6-3-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-4-17(19)20/h18H,2-16H2,1H3,(H,19,20)
InChIKeyQILUWBLSKROYIX-UHFFFAOYSA-N
XLogP0.93
TPSA95.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid
CID 153323532
3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-(2-formyloxyethoxy)ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128331
3-(2-heptoxyethoxy)propanoic acid
CID 71368458
5-(propylamino)pentanoic acid
CID 103691549
4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid
CID 175848152
hexanedioic acid;N-propylpropan-1-amine
CID 88686443
5-(2-docosoxyethylamino)pentanoic acid
CID 155437408
3-pentoxy-N-propylpropan-1-amine
CID 62451352
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid
CID 175739046
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
3-hexoxy-N-propylpropan-1-amine
CID 62456253

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-[2-[2-[3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (CID 156873078) is 3-[2-[2-[2-[2-[3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-[2-[2-[3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-[2-[2-[3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is CCCNCCCOCCOCCOCCOCCOCCC(=O)O.
What is the InChIKey of 3-[2-[2-[2-[2-[3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The InChIKey is QILUWBLSKROYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO7/c1-2-5-18-6-3-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-4-17(19)20/h18H,2-16H2,1H3,(H,19,20).
What are the key properties of 3-[2-[2-[2-[2-[3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
3-[2-[2-[2-[2-[3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 365.47 g/mol, XLogP of 0.93, 21 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 156873078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).