1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid

C9H16N2O3 — CID 66698019

IUPAC1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid
SMILESO=C(O)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C9H16N2O3/c12-8(13)11-5-6-14-9(7-11)1-3-10-4-2-9/h10H,1-7H2,(H,12,13)
InChIKeyVBOIEQQRSPELOS-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.12
Rot. Bonds

About 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid

1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid (PubChem CID 66698019) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid.

Molecular Properties

Compound Name1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid
PubChem CID66698019
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid
SMILESO=C(O)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C9H16N2O3/c12-8(13)11-5-6-14-9(7-11)1-3-10-4-2-9/h10H,1-7H2,(H,12,13)
InChIKeyVBOIEQQRSPELOS-UHFFFAOYSA-N
XLogP0.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid?
The IUPAC name of 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid (CID 66698019) is 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid.
What is the SMILES notation for 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid?
The canonical SMILES for 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid is O=C(O)N1CCOC2(CCNCC2)C1.
What is the InChIKey of 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid?
The InChIKey is VBOIEQQRSPELOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-8(13)11-5-6-14-9(7-11)1-3-10-4-2-9/h10H,1-7H2,(H,12,13).
What are the key properties of 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid?
1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid is sourced from PubChem (CID 66698019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).