2-[1-(2-azaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]acetic acid

C13H21NO2 — CID 81166807

IUPAC2-[1-(2-azaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]acetic acid
SMILESO=C(O)CC1(CN2CC3(CCC3)C2)CCC1
InChIInChI=1S/C13H21NO2/c15-11(16)7-12(3-1-4-12)8-14-9-13(10-14)5-2-6-13/h1-10H2,(H,15,16)
InChIKeyRJLLUJWAFIXMEJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds4

About 2-[1-(2-azaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]acetic acid

2-[1-(2-azaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]acetic acid (PubChem CID 81166807) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[1-(2-azaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-azaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]acetic acid
PubChem CID81166807
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[1-(2-azaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]acetic acid
SMILESO=C(O)CC1(CN2CC3(CCC3)C2)CCC1
InChIInChI=1S/C13H21NO2/c15-11(16)7-12(3-1-4-12)8-14-9-13(10-14)5-2-6-13/h1-10H2,(H,15,16)
InChIKeyRJLLUJWAFIXMEJ-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-azaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(2-azaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]acetic acid (CID 81166807) is 2-[1-(2-azaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(2-azaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(2-azaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]acetic acid is O=C(O)CC1(CN2CC3(CCC3)C2)CCC1.
What is the InChIKey of 2-[1-(2-azaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]acetic acid?
The InChIKey is RJLLUJWAFIXMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-11(16)7-12(3-1-4-12)8-14-9-13(10-14)5-2-6-13/h1-10H2,(H,15,16).
What are the key properties of 2-[1-(2-azaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]acetic acid?
2-[1-(2-azaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]acetic acid has a molecular weight of 223.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-azaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]acetic acid is sourced from PubChem (CID 81166807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).