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

C10H15NO4 — CID 105360013

IUPAC7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
SMILESCC1CC2(CCO1)CC(=O)NC2C(=O)O
InChIInChI=1S/C10H15NO4/c1-6-4-10(2-3-15-6)5-7(12)11-8(10)9(13)14/h6,8H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyNMJACOPZUZVKNR-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.14
Rot. Bonds1

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

7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid (PubChem CID 105360013) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid.

Molecular Properties

Compound Name7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
PubChem CID105360013
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
SMILESCC1CC2(CCO1)CC(=O)NC2C(=O)O
InChIInChI=1S/C10H15NO4/c1-6-4-10(2-3-15-6)5-7(12)11-8(10)9(13)14/h6,8H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyNMJACOPZUZVKNR-UHFFFAOYSA-N
XLogP0.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
The IUPAC name of 7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid (CID 105360013) is 7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid.
What is the SMILES notation for 7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
The canonical SMILES for 7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid is CC1CC2(CCO1)CC(=O)NC2C(=O)O.
What is the InChIKey of 7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
The InChIKey is NMJACOPZUZVKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6-4-10(2-3-15-6)5-7(12)11-8(10)9(13)14/h6,8H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid is sourced from PubChem (CID 105360013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).