4-(2-azaspiro[3.4]octan-2-yl)-2-hydroxybutanoic acid

C11H19NO3 — CID 107841687

IUPAC4-(2-azaspiro[3.4]octan-2-yl)-2-hydroxybutanoic acid
SMILESO=C(O)C(O)CCN1CC2(CCCC2)C1
InChIInChI=1S/C11H19NO3/c13-9(10(14)15)3-6-12-7-11(8-12)4-1-2-5-11/h9,13H,1-8H2,(H,14,15)
InChIKeyFICDYHROTZDEKV-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.70
Rot. Bonds4

About 4-(2-azaspiro[3.4]octan-2-yl)-2-hydroxybutanoic acid

4-(2-azaspiro[3.4]octan-2-yl)-2-hydroxybutanoic acid (PubChem CID 107841687) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(2-azaspiro[3.4]octan-2-yl)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(2-azaspiro[3.4]octan-2-yl)-2-hydroxybutanoic acid
PubChem CID107841687
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-(2-azaspiro[3.4]octan-2-yl)-2-hydroxybutanoic acid
SMILESO=C(O)C(O)CCN1CC2(CCCC2)C1
InChIInChI=1S/C11H19NO3/c13-9(10(14)15)3-6-12-7-11(8-12)4-1-2-5-11/h9,13H,1-8H2,(H,14,15)
InChIKeyFICDYHROTZDEKV-UHFFFAOYSA-N
XLogP0.70
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azaspiro[3.4]octan-2-yl)-2-hydroxybutanoic acid?
The IUPAC name of 4-(2-azaspiro[3.4]octan-2-yl)-2-hydroxybutanoic acid (CID 107841687) is 4-(2-azaspiro[3.4]octan-2-yl)-2-hydroxybutanoic acid.
What is the SMILES notation for 4-(2-azaspiro[3.4]octan-2-yl)-2-hydroxybutanoic acid?
The canonical SMILES for 4-(2-azaspiro[3.4]octan-2-yl)-2-hydroxybutanoic acid is O=C(O)C(O)CCN1CC2(CCCC2)C1.
What is the InChIKey of 4-(2-azaspiro[3.4]octan-2-yl)-2-hydroxybutanoic acid?
The InChIKey is FICDYHROTZDEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-9(10(14)15)3-6-12-7-11(8-12)4-1-2-5-11/h9,13H,1-8H2,(H,14,15).
What are the key properties of 4-(2-azaspiro[3.4]octan-2-yl)-2-hydroxybutanoic acid?
4-(2-azaspiro[3.4]octan-2-yl)-2-hydroxybutanoic acid has a molecular weight of 213.28 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaspiro[3.4]octan-2-yl)-2-hydroxybutanoic acid is sourced from PubChem (CID 107841687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).