3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoic acid

C11H22N2O6 — CID 118235123

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoic acid
SMILESCOCCOCCOCCNC(=O)NCCC(=O)O
InChIInChI=1S/C11H22N2O6/c1-17-6-7-19-9-8-18-5-4-13-11(16)12-3-2-10(14)15/h2-9H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyHXYPJIKVUVUTCH-UHFFFAOYSA-N
MW278.30 g/mol
LogP-0.56
Rot. Bonds12

About 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoic acid

3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoic acid (PubChem CID 118235123) has the molecular formula C11H22N2O6 and a molecular weight of 278.30 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoic acid
PubChem CID118235123
Molecular FormulaC11H22N2O6
Molecular Weight278.30 g/mol
Exact Mass278.15
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoic acid
SMILESCOCCOCCOCCNC(=O)NCCC(=O)O
InChIInChI=1S/C11H22N2O6/c1-17-6-7-19-9-8-18-5-4-13-11(16)12-3-2-10(14)15/h2-9H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyHXYPJIKVUVUTCH-UHFFFAOYSA-N
XLogP-0.56
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoic acid?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoic acid (CID 118235123) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoic acid is COCCOCCOCCNC(=O)NCCC(=O)O.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoic acid?
The InChIKey is HXYPJIKVUVUTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O6/c1-17-6-7-19-9-8-18-5-4-13-11(16)12-3-2-10(14)15/h2-9H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoic acid?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoic acid has a molecular weight of 278.30 g/mol, XLogP of -0.56, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 118235123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).