1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylic acid

C8H14N2O3 — CID 142790989

IUPAC1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylic acid
SMILESO=C(O)N1CCCC2(CNCO2)C1
InChIInChI=1S/C8H14N2O3/c11-7(12)10-3-1-2-8(5-10)4-9-6-13-8/h9H,1-6H2,(H,11,12)
InChIKeyZFYMOZCFCGLLES-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.08
Rot. Bonds

About 1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylic acid

1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylic acid (PubChem CID 142790989) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylic acid.

Molecular Properties

Compound Name1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylic acid
PubChem CID142790989
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylic acid
SMILESO=C(O)N1CCCC2(CNCO2)C1
InChIInChI=1S/C8H14N2O3/c11-7(12)10-3-1-2-8(5-10)4-9-6-13-8/h9H,1-6H2,(H,11,12)
InChIKeyZFYMOZCFCGLLES-UHFFFAOYSA-N
XLogP0.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,9-diazaspiro[5.5]undecane-2-carboxylic acid
CID 68609636
N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 118738752
(5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid
CID 99185249
2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride
CID 155856169
3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid
CID 123427706
acetic acid;2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 118562479
2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 91212132
1,5-diazocane-1-carboxylic acid
CID 141313557
cyclopent-3-en-1-yl(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155837038
6-bromo-4-oxospiro[3H-chromene-2,3'-piperidine]-1'-carboxylic acid
CID 123756935
2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid
CID 154311933
5-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)thiophene-2-carboxylic acid
CID 120695829

Frequently Asked Questions

What is the IUPAC name of 1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylic acid?
The IUPAC name of 1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylic acid (CID 142790989) is 1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylic acid.
What is the SMILES notation for 1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylic acid?
The canonical SMILES for 1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylic acid is O=C(O)N1CCCC2(CNCO2)C1.
What is the InChIKey of 1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylic acid?
The InChIKey is ZFYMOZCFCGLLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c11-7(12)10-3-1-2-8(5-10)4-9-6-13-8/h9H,1-6H2,(H,11,12).
What are the key properties of 1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylic acid?
1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylic acid is sourced from PubChem (CID 142790989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).