(5S)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid

C8H13NO3 — CID 137462555

IUPAC(5S)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid
SMILESO=C(O)N1CC[C@]2(CCOC2)C1
InChIInChI=1S/C8H13NO3/c10-7(11)9-3-1-8(5-9)2-4-12-6-8/h1-6H2,(H,10,11)/t8-/m0/s1
InChIKeyFKQOMSYWYGGXNP-QMMMGPOBSA-N
MW171.20 g/mol
LogP0.78
Rot. Bonds

About (5S)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid

(5S)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid (PubChem CID 137462555) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (5S)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid.

Molecular Properties

Compound Name(5S)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid
PubChem CID137462555
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(5S)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid
SMILESO=C(O)N1CC[C@]2(CCOC2)C1
InChIInChI=1S/C8H13NO3/c10-7(11)9-3-1-8(5-9)2-4-12-6-8/h1-6H2,(H,10,11)/t8-/m0/s1
InChIKeyFKQOMSYWYGGXNP-QMMMGPOBSA-N
XLogP0.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid?
The IUPAC name of (5S)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid (CID 137462555) is (5S)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid.
What is the SMILES notation for (5S)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid?
The canonical SMILES for (5S)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid is O=C(O)N1CC[C@]2(CCOC2)C1.
What is the InChIKey of (5S)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid?
The InChIKey is FKQOMSYWYGGXNP-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NO3/c10-7(11)9-3-1-8(5-9)2-4-12-6-8/h1-6H2,(H,10,11)/t8-/m0/s1.
What are the key properties of (5S)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid?
(5S)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid is sourced from PubChem (CID 137462555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).