4-(2-azaspiro[3.3]heptan-2-yl)butanoic acid

C10H17NO2 — CID 79686612

IUPAC4-(2-azaspiro[3.3]heptan-2-yl)butanoic acid
SMILESO=C(O)CCCN1CC2(CCC2)C1
InChIInChI=1S/C10H17NO2/c12-9(13)3-1-6-11-7-10(8-11)4-2-5-10/h1-8H2,(H,12,13)
InChIKeyDOOPXJJZTRLTME-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.34
Rot. Bonds4

About 4-(2-azaspiro[3.3]heptan-2-yl)butanoic acid

4-(2-azaspiro[3.3]heptan-2-yl)butanoic acid (PubChem CID 79686612) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-(2-azaspiro[3.3]heptan-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-azaspiro[3.3]heptan-2-yl)butanoic acid
PubChem CID79686612
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-(2-azaspiro[3.3]heptan-2-yl)butanoic acid
SMILESO=C(O)CCCN1CC2(CCC2)C1
InChIInChI=1S/C10H17NO2/c12-9(13)3-1-6-11-7-10(8-11)4-2-5-10/h1-8H2,(H,12,13)
InChIKeyDOOPXJJZTRLTME-UHFFFAOYSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azaspiro[3.3]heptan-2-yl)butanoic acid?
The IUPAC name of 4-(2-azaspiro[3.3]heptan-2-yl)butanoic acid (CID 79686612) is 4-(2-azaspiro[3.3]heptan-2-yl)butanoic acid.
What is the SMILES notation for 4-(2-azaspiro[3.3]heptan-2-yl)butanoic acid?
The canonical SMILES for 4-(2-azaspiro[3.3]heptan-2-yl)butanoic acid is O=C(O)CCCN1CC2(CCC2)C1.
What is the InChIKey of 4-(2-azaspiro[3.3]heptan-2-yl)butanoic acid?
The InChIKey is DOOPXJJZTRLTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-9(13)3-1-6-11-7-10(8-11)4-2-5-10/h1-8H2,(H,12,13).
What are the key properties of 4-(2-azaspiro[3.3]heptan-2-yl)butanoic acid?
4-(2-azaspiro[3.3]heptan-2-yl)butanoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaspiro[3.3]heptan-2-yl)butanoic acid is sourced from PubChem (CID 79686612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).