2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid

C13H22O3 — CID 79901459

IUPAC2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid
SMILESCC(C(=O)O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C13H22O3/c1-10(12(14)15)11-5-8-16-13(9-11)6-3-2-4-7-13/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyHFHJZHBHBDSIOF-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.84
Rot. Bonds2

About 2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid

2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid (PubChem CID 79901459) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid
PubChem CID79901459
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid
SMILESCC(C(=O)O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C13H22O3/c1-10(12(14)15)11-5-8-16-13(9-11)6-3-2-4-7-13/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyHFHJZHBHBDSIOF-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79893658
2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one
CID 79894342
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
3-methoxy-2-(6-oxaspiro[4.5]decan-9-yl)-3-oxopropanoic acid
CID 113360322
(2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid
CID 97050508
4-amino-2-(1-oxaspiro[5.5]undecan-4-yl)butanoic acid
CID 113440466
2-amino-2-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 79906414
methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate
CID 79912845
2-cyclopropyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 115787764
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 81020446
(1-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106830968

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid?
The IUPAC name of 2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid (CID 79901459) is 2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid.
What is the SMILES notation for 2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid?
The canonical SMILES for 2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid is CC(C(=O)O)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid?
The InChIKey is HFHJZHBHBDSIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-10(12(14)15)11-5-8-16-13(9-11)6-3-2-4-7-13/h10-11H,2-9H2,1H3,(H,14,15).
What are the key properties of 2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid?
2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid has a molecular weight of 226.32 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid is sourced from PubChem (CID 79901459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).