(3R)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid

C8H13NO3 — CID 125424405

IUPAC(3R)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid
SMILESO=C(O)[C@@H]1NCC12CCOCC2
InChIInChI=1S/C8H13NO3/c10-7(11)6-8(5-9-6)1-3-12-4-2-8/h6,9H,1-5H2,(H,10,11)/t6-/m0/s1
InChIKeyLIMUTOGSLBPOFQ-LURJTMIESA-N
MW171.20 g/mol
LogP-0.16
Rot. Bonds1

About (3R)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid

(3R)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid (PubChem CID 125424405) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (3R)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid
PubChem CID125424405
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(3R)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid
SMILESO=C(O)[C@@H]1NCC12CCOCC2
InChIInChI=1S/C8H13NO3/c10-7(11)6-8(5-9-6)1-3-12-4-2-8/h6,9H,1-5H2,(H,10,11)/t6-/m0/s1
InChIKeyLIMUTOGSLBPOFQ-LURJTMIESA-N
XLogP-0.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid?
The IUPAC name of (3R)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid (CID 125424405) is (3R)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid.
What is the SMILES notation for (3R)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid?
The canonical SMILES for (3R)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid is O=C(O)[C@@H]1NCC12CCOCC2.
What is the InChIKey of (3R)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid?
The InChIKey is LIMUTOGSLBPOFQ-LURJTMIESA-N. The full InChI is InChI=1S/C8H13NO3/c10-7(11)6-8(5-9-6)1-3-12-4-2-8/h6,9H,1-5H2,(H,10,11)/t6-/m0/s1.
What are the key properties of (3R)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid?
(3R)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid is sourced from PubChem (CID 125424405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).