(8S)-7-oxo-6-azaspiro[3.4]octane-8-carboxylic acid

C8H11NO3 — CID 129388763

IUPAC(8S)-7-oxo-6-azaspiro[3.4]octane-8-carboxylic acid
SMILESO=C(O)[C@@H]1C(=O)NCC12CCC2
InChIInChI=1S/C8H11NO3/c10-6-5(7(11)12)8(4-9-6)2-1-3-8/h5H,1-4H2,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyXPQFCSUUVIBGFB-YFKPBYRVSA-N
MW169.18 g/mol
LogP-0.01
Rot. Bonds1

About (8S)-7-oxo-6-azaspiro[3.4]octane-8-carboxylic acid

(8S)-7-oxo-6-azaspiro[3.4]octane-8-carboxylic acid (PubChem CID 129388763) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is (8S)-7-oxo-6-azaspiro[3.4]octane-8-carboxylic acid.

Molecular Properties

Compound Name(8S)-7-oxo-6-azaspiro[3.4]octane-8-carboxylic acid
PubChem CID129388763
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name(8S)-7-oxo-6-azaspiro[3.4]octane-8-carboxylic acid
SMILESO=C(O)[C@@H]1C(=O)NCC12CCC2
InChIInChI=1S/C8H11NO3/c10-6-5(7(11)12)8(4-9-6)2-1-3-8/h5H,1-4H2,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyXPQFCSUUVIBGFB-YFKPBYRVSA-N
XLogP-0.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (8S)-7-oxo-6-azaspiro[3.4]octane-8-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-oxo-2-azaspiro[4.5]decane-4-carboxylic acid
CID 19354262
3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid
CID 90908477
6,8-dioxospiro[3.5]nonane-9-carboxylic acid
CID 21133242
6-oxo-7-azaspiro[3.5]nonane-9-carboxylic acid
CID 126847405
methyl (3S)-4,4-dimethyl-2-oxopyrrolidine-3-carboxylate
CID 97292714
(4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one
CID 125180842
(3R)-2-azaspiro[3.5]nonane-3-carboxylic acid
CID 92845496
spiro[3.4]octane-8-carboxylic acid
CID 83905140
1-(2-oxopiperidin-3-yl)cyclopropane-1-carboxylic acid
CID 83876182
5,7-dioxospiro[2.5]octane-6,8-dicarboxylic acid
CID 130365654
6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid
CID 166444205
6-oxospiro[2.5]octane-2-carboxylic acid
CID 84653004

Frequently Asked Questions

What is the IUPAC name of (8S)-7-oxo-6-azaspiro[3.4]octane-8-carboxylic acid?
The IUPAC name of (8S)-7-oxo-6-azaspiro[3.4]octane-8-carboxylic acid (CID 129388763) is (8S)-7-oxo-6-azaspiro[3.4]octane-8-carboxylic acid.
What is the SMILES notation for (8S)-7-oxo-6-azaspiro[3.4]octane-8-carboxylic acid?
The canonical SMILES for (8S)-7-oxo-6-azaspiro[3.4]octane-8-carboxylic acid is O=C(O)[C@@H]1C(=O)NCC12CCC2.
What is the InChIKey of (8S)-7-oxo-6-azaspiro[3.4]octane-8-carboxylic acid?
The InChIKey is XPQFCSUUVIBGFB-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11NO3/c10-6-5(7(11)12)8(4-9-6)2-1-3-8/h5H,1-4H2,(H,9,10)(H,11,12)/t5-/m0/s1.
What are the key properties of (8S)-7-oxo-6-azaspiro[3.4]octane-8-carboxylic acid?
(8S)-7-oxo-6-azaspiro[3.4]octane-8-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-7-oxo-6-azaspiro[3.4]octane-8-carboxylic acid is sourced from PubChem (CID 129388763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).