2-(2-oxo-1-oxa-9-thia-3-azaspiro[4.5]decan-3-yl)acetic acid

C9H13NO4S — CID 105489473

IUPAC2-(2-oxo-1-oxa-9-thia-3-azaspiro[4.5]decan-3-yl)acetic acid
SMILESO=C(O)CN1CC2(CCCSC2)OC1=O
InChIInChI=1S/C9H13NO4S/c11-7(12)4-10-5-9(14-8(10)13)2-1-3-15-6-9/h1-6H2,(H,11,12)
InChIKeyWPKOVSCDQPKOGY-UHFFFAOYSA-N
MW231.27 g/mol
LogP0.79
Rot. Bonds2

About 2-(2-oxo-1-oxa-9-thia-3-azaspiro[4.5]decan-3-yl)acetic acid

2-(2-oxo-1-oxa-9-thia-3-azaspiro[4.5]decan-3-yl)acetic acid (PubChem CID 105489473) has the molecular formula C9H13NO4S and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(2-oxo-1-oxa-9-thia-3-azaspiro[4.5]decan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-1-oxa-9-thia-3-azaspiro[4.5]decan-3-yl)acetic acid
PubChem CID105489473
Molecular FormulaC9H13NO4S
Molecular Weight231.27 g/mol
Exact Mass231.06
IUPAC Name2-(2-oxo-1-oxa-9-thia-3-azaspiro[4.5]decan-3-yl)acetic acid
SMILESO=C(O)CN1CC2(CCCSC2)OC1=O
InChIInChI=1S/C9H13NO4S/c11-7(12)4-10-5-9(14-8(10)13)2-1-3-15-6-9/h1-6H2,(H,11,12)
InChIKeyWPKOVSCDQPKOGY-UHFFFAOYSA-N
XLogP0.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-oxo-1-oxa-9-thia-3-azaspiro[4.5]decan-3-yl)acetic 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-(2-hydroxyethyl)-1-oxa-9-thia-3-azaspiro[4.5]decan-2-one
CID 105471489
2-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)acetic acid
CID 167727227
2-[2-oxo-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 70720267
2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 105485391
2-[8-(2,3-dihydro-1-benzothiophene-2-carbonyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 70707276
2-[8-[5-(diaminomethylideneamino)pentanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 22975624
2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid
CID 23435681
2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 167849089
2-[2-oxo-8-(2-pyrrol-1-ylpentanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 70758248
2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 70729953
3-(3-aminopropyl)-1-oxa-8-thia-3-azaspiro[4.5]decan-2-one
CID 105488547
2-[8-[4-[N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]benzoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 59043083

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-oxa-9-thia-3-azaspiro[4.5]decan-3-yl)acetic acid?
The IUPAC name of 2-(2-oxo-1-oxa-9-thia-3-azaspiro[4.5]decan-3-yl)acetic acid (CID 105489473) is 2-(2-oxo-1-oxa-9-thia-3-azaspiro[4.5]decan-3-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-1-oxa-9-thia-3-azaspiro[4.5]decan-3-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-1-oxa-9-thia-3-azaspiro[4.5]decan-3-yl)acetic acid is O=C(O)CN1CC2(CCCSC2)OC1=O.
What is the InChIKey of 2-(2-oxo-1-oxa-9-thia-3-azaspiro[4.5]decan-3-yl)acetic acid?
The InChIKey is WPKOVSCDQPKOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S/c11-7(12)4-10-5-9(14-8(10)13)2-1-3-15-6-9/h1-6H2,(H,11,12).
What are the key properties of 2-(2-oxo-1-oxa-9-thia-3-azaspiro[4.5]decan-3-yl)acetic acid?
2-(2-oxo-1-oxa-9-thia-3-azaspiro[4.5]decan-3-yl)acetic acid has a molecular weight of 231.27 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-oxa-9-thia-3-azaspiro[4.5]decan-3-yl)acetic acid is sourced from PubChem (CID 105489473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).