2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylacetic acid

C13H17NO3S — CID 113278959

IUPAC2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(c1cccs1)N1CC2(CCOCC2)C1
InChIInChI=1S/C13H17NO3S/c15-12(16)11(10-2-1-7-18-10)14-8-13(9-14)3-5-17-6-4-13/h1-2,7,11H,3-6,8-9H2,(H,15,16)
InChIKeyKROLFCFPDVAWSP-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.99
Rot. Bonds3

About 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylacetic acid

2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylacetic acid (PubChem CID 113278959) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylacetic acid
PubChem CID113278959
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(c1cccs1)N1CC2(CCOCC2)C1
InChIInChI=1S/C13H17NO3S/c15-12(16)11(10-2-1-7-18-10)14-8-13(9-14)3-5-17-6-4-13/h1-2,7,11H,3-6,8-9H2,(H,15,16)
InChIKeyKROLFCFPDVAWSP-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid
CID 79687237
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid
CID 86309571
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-thiophen-2-ylacetic acid
CID 115284392
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-ylacetamide
CID 106298493
2-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylacetic acid
CID 83979331
2-amino-4-morpholin-4-yl-4-thiophen-2-ylbutanoic acid
CID 121209627
2-(5-hydroxy-2-oxo-1,3-oxazol-3-yl)-2-thiophen-2-ylacetic acid
CID 90708458
2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone
CID 62225934
[4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol
CID 79134716
3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid
CID 131000852
2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid
CID 54595982
4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide
CID 113310086

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylacetic acid (CID 113278959) is 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylacetic acid is O=C(O)C(c1cccs1)N1CC2(CCOCC2)C1.
What is the InChIKey of 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylacetic acid?
The InChIKey is KROLFCFPDVAWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-12(16)11(10-2-1-7-18-10)14-8-13(9-14)3-5-17-6-4-13/h1-2,7,11H,3-6,8-9H2,(H,15,16).
What are the key properties of 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylacetic acid?
2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylacetic acid has a molecular weight of 267.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 113278959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).