5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoic acid

C11H19NO6 — CID 144843622

IUPAC5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoic acid
SMILESO=CCOCCOCCNC(=O)CCCC(=O)O
InChIInChI=1S/C11H19NO6/c13-5-7-18-9-8-17-6-4-12-10(14)2-1-3-11(15)16/h5H,1-4,6-9H2,(H,12,14)(H,15,16)
InChIKeyYSDYRCDDAWHWPU-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.41
Rot. Bonds12

About 5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoic acid

5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoic acid (PubChem CID 144843622) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is 5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoic acid
PubChem CID144843622
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoic acid
SMILESO=CCOCCOCCNC(=O)CCCC(=O)O
InChIInChI=1S/C11H19NO6/c13-5-7-18-9-8-17-6-4-12-10(14)2-1-3-11(15)16/h5H,1-4,6-9H2,(H,12,14)(H,15,16)
InChIKeyYSDYRCDDAWHWPU-UHFFFAOYSA-N
XLogP-0.41
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

20-oxo-20-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]icosanoic acid
CID 123822087
16-oxo-16-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethylamino]hexadecanoic acid
CID 173042619
N-[2-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide
CID 57182546
5-[3-[2-[2-[3-(4-carboxybutanoylamino)propoxy]ethoxy]ethoxy]propylamino]-5-oxopentanoic acid
CID 89212622
tert-butyl 5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoate
CID 156645994
20-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethylamino]-20-oxoicosanoic acid
CID 167312677
16-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid
CID 167312728
N-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 163401026
5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 130440881
3-[2-(2-oxoethoxy)ethoxy]propanoic acid
CID 87404633
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
5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 154016852

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoic acid?
The IUPAC name of 5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoic acid (CID 144843622) is 5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoic acid is O=CCOCCOCCNC(=O)CCCC(=O)O.
What is the InChIKey of 5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoic acid?
The InChIKey is YSDYRCDDAWHWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6/c13-5-7-18-9-8-17-6-4-12-10(14)2-1-3-11(15)16/h5H,1-4,6-9H2,(H,12,14)(H,15,16).
What are the key properties of 5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoic acid?
5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoic acid has a molecular weight of 261.27 g/mol, XLogP of -0.41, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoic acid is sourced from PubChem (CID 144843622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).