2-[2-[2-[2-(prop-1-en-2-yloxyamino)oxyethoxy]ethoxy]ethoxy]acetic acid

C11H21NO7 — CID 126620150

IUPAC2-[2-[2-[2-(prop-1-en-2-yloxyamino)oxyethoxy]ethoxy]ethoxy]acetic acid
SMILESC=C(C)ONOCCOCCOCCOCC(=O)O
InChIInChI=1S/C11H21NO7/c1-10(2)19-12-18-8-7-16-4-3-15-5-6-17-9-11(13)14/h12H,1,3-9H2,2H3,(H,13,14)
InChIKeySJYMXUKLCACVNQ-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.11
Rot. Bonds14

About 2-[2-[2-[2-(prop-1-en-2-yloxyamino)oxyethoxy]ethoxy]ethoxy]acetic acid

2-[2-[2-[2-(prop-1-en-2-yloxyamino)oxyethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 126620150) has the molecular formula C11H21NO7 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[2-[2-[2-(prop-1-en-2-yloxyamino)oxyethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-(prop-1-en-2-yloxyamino)oxyethoxy]ethoxy]ethoxy]acetic acid
PubChem CID126620150
Molecular FormulaC11H21NO7
Molecular Weight279.29 g/mol
Exact Mass279.13
IUPAC Name2-[2-[2-[2-(prop-1-en-2-yloxyamino)oxyethoxy]ethoxy]ethoxy]acetic acid
SMILESC=C(C)ONOCCOCCOCCOCC(=O)O
InChIInChI=1S/C11H21NO7/c1-10(2)19-12-18-8-7-16-4-3-15-5-6-17-9-11(13)14/h12H,1,3-9H2,2H3,(H,13,14)
InChIKeySJYMXUKLCACVNQ-UHFFFAOYSA-N
XLogP0.11
TPSA95.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(carboxyamino)oxyethoxy]ethoxy]acetic acid
CID 90201502
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673
2-[2-(2-methylprop-2-enoyloxy)ethoxy]acetic acid
CID 23168599
2-[2-(2-methoxyethoxy)ethoxy]acetic acid;zinc
CID 87575071
acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid
CID 172772523
2-[2-(3-methylbutoxy)ethoxy]acetic acid
CID 112692943
2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86346270
acetyl 2-methylprop-2-enoate;2-[2-(2-hydroxyethoxy)ethoxy]acetic acid
CID 174807488
2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 126843434
2-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]acetic acid
CID 58687735
2-[3-(2-methoxyethoxy)propoxy]acetic acid
CID 87577722
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(prop-1-en-2-yloxyamino)oxyethoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2-(prop-1-en-2-yloxyamino)oxyethoxy]ethoxy]ethoxy]acetic acid (CID 126620150) is 2-[2-[2-[2-(prop-1-en-2-yloxyamino)oxyethoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-(prop-1-en-2-yloxyamino)oxyethoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2-(prop-1-en-2-yloxyamino)oxyethoxy]ethoxy]ethoxy]acetic acid is C=C(C)ONOCCOCCOCCOCC(=O)O.
What is the InChIKey of 2-[2-[2-[2-(prop-1-en-2-yloxyamino)oxyethoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is SJYMXUKLCACVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO7/c1-10(2)19-12-18-8-7-16-4-3-15-5-6-17-9-11(13)14/h12H,1,3-9H2,2H3,(H,13,14).
What are the key properties of 2-[2-[2-[2-(prop-1-en-2-yloxyamino)oxyethoxy]ethoxy]ethoxy]acetic acid?
2-[2-[2-[2-(prop-1-en-2-yloxyamino)oxyethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 279.29 g/mol, XLogP of 0.11, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(prop-1-en-2-yloxyamino)oxyethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 126620150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).