2-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]acetic acid

C15H29NO7 — CID 58544944

IUPAC2-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]acetic acid
SMILESNCCCOCCOCCOCCCCC(=O)COCC(=O)O
InChIInChI=1S/C15H29NO7/c16-5-3-7-21-9-11-22-10-8-20-6-2-1-4-14(17)12-23-13-15(18)19/h1-13,16H2,(H,18,19)
InChIKeyWTWYTQZSJVWVDM-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.23
Rot. Bonds18

About 2-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]acetic acid

2-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]acetic acid (PubChem CID 58544944) has the molecular formula C15H29NO7 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]acetic acid.

Molecular Properties

Compound Name2-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]acetic acid
PubChem CID58544944
Molecular FormulaC15H29NO7
Molecular Weight335.40 g/mol
Exact Mass335.19
IUPAC Name2-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]acetic acid
SMILESNCCCOCCOCCOCCCCC(=O)COCC(=O)O
InChIInChI=1S/C15H29NO7/c16-5-3-7-21-9-11-22-10-8-20-6-2-1-4-14(17)12-23-13-15(18)19/h1-13,16H2,(H,18,19)
InChIKeyWTWYTQZSJVWVDM-UHFFFAOYSA-N
XLogP0.23
TPSA117.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.23
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

5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid
CID 137483570
2-[2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 155415114
2-[2-[2-[2-[2-[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 154729983
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101236867
4-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
CID 175454355
acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid
CID 172772523
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium
CID 142879742
4-chloro-1-[2-(11-sulfanylundecoxy)ethoxy]butan-2-one
CID 59422686
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 58975663

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]acetic acid?
The IUPAC name of 2-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]acetic acid (CID 58544944) is 2-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]acetic acid.
What is the SMILES notation for 2-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]acetic acid?
The canonical SMILES for 2-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]acetic acid is NCCCOCCOCCOCCCCC(=O)COCC(=O)O.
What is the InChIKey of 2-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]acetic acid?
The InChIKey is WTWYTQZSJVWVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO7/c16-5-3-7-21-9-11-22-10-8-20-6-2-1-4-14(17)12-23-13-15(18)19/h1-13,16H2,(H,18,19).
What are the key properties of 2-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]acetic acid?
2-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]acetic acid has a molecular weight of 335.40 g/mol, XLogP of 0.23, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]acetic acid is sourced from PubChem (CID 58544944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).