9-oxo-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid

C10H16N2O4 — CID 67293081

IUPAC9-oxo-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid
SMILESO=C1COC2(CCN1)CCN(C(=O)O)CC2
InChIInChI=1S/C10H16N2O4/c13-8-7-16-10(1-4-11-8)2-5-12(6-3-10)9(14)15/h1-7H2,(H,11,13)(H,14,15)
InChIKeyZHQQWJCBIONKKE-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.04
Rot. Bonds

About 9-oxo-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid

9-oxo-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid (PubChem CID 67293081) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 9-oxo-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid.

Molecular Properties

Compound Name9-oxo-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid
PubChem CID67293081
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name9-oxo-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid
SMILESO=C1COC2(CCN1)CCN(C(=O)O)CC2
InChIInChI=1S/C10H16N2O4/c13-8-7-16-10(1-4-11-8)2-5-12(6-3-10)9(14)15/h1-7H2,(H,11,13)(H,14,15)
InChIKeyZHQQWJCBIONKKE-UHFFFAOYSA-N
XLogP0.04
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3Z)-3-hydroxyimino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid
CID 146302860
1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile
CID 131686775
9-(pyridine-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155838295
6,11,18,23-tetraoxo-1,4,7,10,13,16,19,22-octazacyclotetracosane-1,4,13,16-tetracarboxylic acid
CID 100960085
(5S)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 99256631
3-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid
CID 146302873
9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162629408
2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid
CID 151434915
(3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 68609344
9-(1-oxo-2,3-dihydroindene-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162630313
9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131686408
3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid
CID 68886117

Frequently Asked Questions

What is the IUPAC name of 9-oxo-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid?
The IUPAC name of 9-oxo-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid (CID 67293081) is 9-oxo-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid.
What is the SMILES notation for 9-oxo-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid?
The canonical SMILES for 9-oxo-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid is O=C1COC2(CCN1)CCN(C(=O)O)CC2.
What is the InChIKey of 9-oxo-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid?
The InChIKey is ZHQQWJCBIONKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-8-7-16-10(1-4-11-8)2-5-12(6-3-10)9(14)15/h1-7H2,(H,11,13)(H,14,15).
What are the key properties of 9-oxo-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid?
9-oxo-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid is sourced from PubChem (CID 67293081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).