3-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid

C10H18N2O3 — CID 146302873

IUPAC3-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid
SMILESNC1CCC2(CCN(C(=O)O)CC2)OC1
InChIInChI=1S/C10H18N2O3/c11-8-1-2-10(15-7-8)3-5-12(6-4-10)9(13)14/h8H,1-7,11H2,(H,13,14)
InChIKeyRZIDPYHKELINJI-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.64
Rot. Bonds

About 3-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid

3-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid (PubChem CID 146302873) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid
PubChem CID146302873
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid
SMILESNC1CCC2(CCN(C(=O)O)CC2)OC1
InChIInChI=1S/C10H18N2O3/c11-8-1-2-10(15-7-8)3-5-12(6-4-10)9(13)14/h8H,1-7,11H2,(H,13,14)
InChIKeyRZIDPYHKELINJI-UHFFFAOYSA-N
XLogP0.64
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid?
The IUPAC name of 3-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid (CID 146302873) is 3-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid.
What is the SMILES notation for 3-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid?
The canonical SMILES for 3-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid is NC1CCC2(CCN(C(=O)O)CC2)OC1.
What is the InChIKey of 3-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid?
The InChIKey is RZIDPYHKELINJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c11-8-1-2-10(15-7-8)3-5-12(6-4-10)9(13)14/h8H,1-7,11H2,(H,13,14).
What are the key properties of 3-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid?
3-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid is sourced from PubChem (CID 146302873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).