3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid

C8H15NO6 — CID 176555841

IUPAC3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCCNC(=O)O
InChIInChI=1S/C8H15NO6/c10-7(11)1-3-14-5-6-15-4-2-9-8(12)13/h9H,1-6H2,(H,10,11)(H,12,13)
InChIKeyXLCZEPDQYLYPFZ-UHFFFAOYSA-N
MW221.21 g/mol
LogP-0.24
Rot. Bonds9

About 3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid

3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid (PubChem CID 176555841) has the molecular formula C8H15NO6 and a molecular weight of 221.21 g/mol. Its IUPAC name is 3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid
PubChem CID176555841
Molecular FormulaC8H15NO6
Molecular Weight221.21 g/mol
Exact Mass221.09
IUPAC Name3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCCNC(=O)O
InChIInChI=1S/C8H15NO6/c10-7(11)1-3-14-5-6-15-4-2-9-8(12)13/h9H,1-6H2,(H,10,11)(H,12,13)
InChIKeyXLCZEPDQYLYPFZ-UHFFFAOYSA-N
XLogP-0.24
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59584462
2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86346270
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
3-[2-[2-[2-[3-[3-[3-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 123748562
3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
CID 175775195
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]ethylcarbamic acid
CID 88921275
2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 123981606
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 170424406
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 51341057
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 75534948
3-[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-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155320272
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 171819363

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid (CID 176555841) is 3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid is O=C(O)CCOCCOCCNC(=O)O.
What is the InChIKey of 3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid?
The InChIKey is XLCZEPDQYLYPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO6/c10-7(11)1-3-14-5-6-15-4-2-9-8(12)13/h9H,1-6H2,(H,10,11)(H,12,13).
What are the key properties of 3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid?
3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid has a molecular weight of 221.21 g/mol, XLogP of -0.24, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 176555841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).