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

C10H19NO5 — CID 175416562

IUPAC3-[2-[2-(2-oxopropylamino)ethoxy]ethoxy]propanoic acid
SMILESCC(=O)CNCCOCCOCCC(=O)O
InChIInChI=1S/C10H19NO5/c1-9(12)8-11-3-5-16-7-6-15-4-2-10(13)14/h11H,2-8H2,1H3,(H,13,14)
InChIKeyBUPMBFYGJBKVKL-UHFFFAOYSA-N
MW233.26 g/mol
LogP-0.33
Rot. Bonds11

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

3-[2-[2-(2-oxopropylamino)ethoxy]ethoxy]propanoic acid (PubChem CID 175416562) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 3-[2-[2-(2-oxopropylamino)ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-(2-oxopropylamino)ethoxy]ethoxy]propanoic acid
PubChem CID175416562
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name3-[2-[2-(2-oxopropylamino)ethoxy]ethoxy]propanoic acid
SMILESCC(=O)CNCCOCCOCCC(=O)O
InChIInChI=1S/C10H19NO5/c1-9(12)8-11-3-5-16-7-6-15-4-2-10(13)14/h11H,2-8H2,1H3,(H,13,14)
InChIKeyBUPMBFYGJBKVKL-UHFFFAOYSA-N
XLogP-0.33
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
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-oxopropylamino)ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-(2-oxopropylamino)ethoxy]ethoxy]propanoic acid (CID 175416562) is 3-[2-[2-(2-oxopropylamino)ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-(2-oxopropylamino)ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-(2-oxopropylamino)ethoxy]ethoxy]propanoic acid is CC(=O)CNCCOCCOCCC(=O)O.
What is the InChIKey of 3-[2-[2-(2-oxopropylamino)ethoxy]ethoxy]propanoic acid?
The InChIKey is BUPMBFYGJBKVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-9(12)8-11-3-5-16-7-6-15-4-2-10(13)14/h11H,2-8H2,1H3,(H,13,14).
What are the key properties of 3-[2-[2-(2-oxopropylamino)ethoxy]ethoxy]propanoic acid?
3-[2-[2-(2-oxopropylamino)ethoxy]ethoxy]propanoic acid has a molecular weight of 233.26 g/mol, XLogP of -0.33, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-oxopropylamino)ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 175416562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).