5-(2-ethoxyethylamino)-5-oxopentanoic acid

C9H17NO4 — CID 43591136

IUPAC5-(2-ethoxyethylamino)-5-oxopentanoic acid
SMILESCCOCCNC(=O)CCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-2-14-7-6-10-8(11)4-3-5-9(12)13/h2-7H2,1H3,(H,10,11)(H,12,13)
InChIKeyNZYASFAOUCCLMK-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.39
Rot. Bonds8

About 5-(2-ethoxyethylamino)-5-oxopentanoic acid

5-(2-ethoxyethylamino)-5-oxopentanoic acid (PubChem CID 43591136) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-(2-ethoxyethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-ethoxyethylamino)-5-oxopentanoic acid
PubChem CID43591136
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name5-(2-ethoxyethylamino)-5-oxopentanoic acid
SMILESCCOCCNC(=O)CCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-2-14-7-6-10-8(11)4-3-5-9(12)13/h2-7H2,1H3,(H,10,11)(H,12,13)
InChIKeyNZYASFAOUCCLMK-UHFFFAOYSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-(2-ethoxyethylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(2-ethoxyethylamino)-5-oxopentanoic acid (CID 43591136) is 5-(2-ethoxyethylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-ethoxyethylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(2-ethoxyethylamino)-5-oxopentanoic acid is CCOCCNC(=O)CCCC(=O)O.
What is the InChIKey of 5-(2-ethoxyethylamino)-5-oxopentanoic acid?
The InChIKey is NZYASFAOUCCLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-2-14-7-6-10-8(11)4-3-5-9(12)13/h2-7H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-(2-ethoxyethylamino)-5-oxopentanoic acid?
5-(2-ethoxyethylamino)-5-oxopentanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 43591136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).