3-[1-(2-aminoethoxy)ethoxy]propanoic acid

C7H15NO4 — CID 140704240

IUPAC3-[1-(2-aminoethoxy)ethoxy]propanoic acid
SMILESCC(OCCN)OCCC(=O)O
InChIInChI=1S/C7H15NO4/c1-6(12-5-3-8)11-4-2-7(9)10/h6H,2-5,8H2,1H3,(H,9,10)
InChIKeyINRYZCPICXQBHA-UHFFFAOYSA-N
MW177.20 g/mol
LogP-0.20
Rot. Bonds7

About 3-[1-(2-aminoethoxy)ethoxy]propanoic acid

3-[1-(2-aminoethoxy)ethoxy]propanoic acid (PubChem CID 140704240) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-[1-(2-aminoethoxy)ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-aminoethoxy)ethoxy]propanoic acid
PubChem CID140704240
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name3-[1-(2-aminoethoxy)ethoxy]propanoic acid
SMILESCC(OCCN)OCCC(=O)O
InChIInChI=1S/C7H15NO4/c1-6(12-5-3-8)11-4-2-7(9)10/h6H,2-5,8H2,1H3,(H,9,10)
InChIKeyINRYZCPICXQBHA-UHFFFAOYSA-N
XLogP-0.20
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[1-[1-[1-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid
CID 175484836
3-(2-aminoethoxy)butanoic acid
CID 146218165
3-[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]propanoic acid
CID 119058379
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 53433573
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 122361149
N-(2-aminoethyl)-2-(methylamino)acetamide;3-[2-[1-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid;dihydrochloride
CID 173310243
3-[2-[2-[1-[2-(carbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 173187285
3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid
CID 65439316
azane;bis(butanedioic acid);ethane-1,2-diamine
CID 173216605
CID 173009716
CID 173009716
bis(butanedioic acid);ethane-1,2-diamine;zinc
CID 173009719
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 160630926

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-aminoethoxy)ethoxy]propanoic acid?
The IUPAC name of 3-[1-(2-aminoethoxy)ethoxy]propanoic acid (CID 140704240) is 3-[1-(2-aminoethoxy)ethoxy]propanoic acid.
What is the SMILES notation for 3-[1-(2-aminoethoxy)ethoxy]propanoic acid?
The canonical SMILES for 3-[1-(2-aminoethoxy)ethoxy]propanoic acid is CC(OCCN)OCCC(=O)O.
What is the InChIKey of 3-[1-(2-aminoethoxy)ethoxy]propanoic acid?
The InChIKey is INRYZCPICXQBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-6(12-5-3-8)11-4-2-7(9)10/h6H,2-5,8H2,1H3,(H,9,10).
What are the key properties of 3-[1-(2-aminoethoxy)ethoxy]propanoic acid?
3-[1-(2-aminoethoxy)ethoxy]propanoic acid has a molecular weight of 177.20 g/mol, XLogP of -0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-aminoethoxy)ethoxy]propanoic acid is sourced from PubChem (CID 140704240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).