7-ethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid

C11H17NO4 — CID 105360012

IUPAC7-ethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
SMILESCCC1CC2(CCO1)CC(=O)NC2C(=O)O
InChIInChI=1S/C11H17NO4/c1-2-7-5-11(3-4-16-7)6-8(13)12-9(11)10(14)15/h7,9H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyQQXLFHABZZNSMG-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.53
Rot. Bonds2

About 7-ethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid

7-ethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid (PubChem CID 105360012) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 7-ethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
PubChem CID105360012
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name7-ethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
SMILESCCC1CC2(CCO1)CC(=O)NC2C(=O)O
InChIInChI=1S/C11H17NO4/c1-2-7-5-11(3-4-16-7)6-8(13)12-9(11)10(14)15/h7,9H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyQQXLFHABZZNSMG-UHFFFAOYSA-N
XLogP0.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
The IUPAC name of 7-ethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid (CID 105360012) is 7-ethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid.
What is the SMILES notation for 7-ethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
The canonical SMILES for 7-ethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid is CCC1CC2(CCO1)CC(=O)NC2C(=O)O.
What is the InChIKey of 7-ethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
The InChIKey is QQXLFHABZZNSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-2-7-5-11(3-4-16-7)6-8(13)12-9(11)10(14)15/h7,9H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 7-ethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
7-ethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid is sourced from PubChem (CID 105360012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).