2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid

C9H14O3 — CID 130640853

IUPAC2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCCC12CO2
InChIInChI=1S/C9H14O3/c10-8(11)5-7-3-1-2-4-9(7)6-12-9/h7H,1-6H2,(H,10,11)/t7-,9?/m1/s1
InChIKeyMYAWNFOVJAPCHN-YOXFSPIKSA-N
MW170.21 g/mol
LogP1.42
Rot. Bonds2

About 2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid

2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid (PubChem CID 130640853) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid
PubChem CID130640853
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCCC12CO2
InChIInChI=1S/C9H14O3/c10-8(11)5-7-3-1-2-4-9(7)6-12-9/h7H,1-6H2,(H,10,11)/t7-,9?/m1/s1
InChIKeyMYAWNFOVJAPCHN-YOXFSPIKSA-N
XLogP1.42
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid
CID 98041281
2-spiro[2.3]hexan-6-ylacetic acid
CID 121207798
2-[(1R,2R)-2-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]cyclohexyl]acetic acid
CID 167823400
4-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]-1-oxaspiro[2.5]octane
CID 139257551
2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic acid
CID 56673834
2-(1,2-diaminocyclohexyl)acetic acid;hydrate
CID 70410023
2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid
CID 84667097
2-spiro[5.5]undecan-3-ylacetic acid
CID 83909560
2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide
CID 121001643
trans-(1R,2R)-1-methyl-2-(2-oxopropyl)cyclohexane-1-carbaldehyde
CID 131122718
2-(6-thiaspiro[3.5]nonan-9-yl)acetic acid
CID 82397414
2-spiro[4.5]decan-9-ylacetic acid
CID 150402729

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid?
The IUPAC name of 2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid (CID 130640853) is 2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid.
What is the SMILES notation for 2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid?
The canonical SMILES for 2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid is O=C(O)C[C@H]1CCCCC12CO2.
What is the InChIKey of 2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid?
The InChIKey is MYAWNFOVJAPCHN-YOXFSPIKSA-N. The full InChI is InChI=1S/C9H14O3/c10-8(11)5-7-3-1-2-4-9(7)6-12-9/h7H,1-6H2,(H,10,11)/t7-,9?/m1/s1.
What are the key properties of 2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid?
2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid has a molecular weight of 170.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid is sourced from PubChem (CID 130640853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).