5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid

C14H17NO2 — CID 67355077

IUPAC5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid
SMILESO=C(O)C1CC2(CC2)CN1Cc1ccccc1
InChIInChI=1S/C14H17NO2/c16-13(17)12-8-14(6-7-14)10-15(12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)
InChIKeyAJTFZMHSPQHRQT-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.13
Rot. Bonds3

About 5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid

5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid (PubChem CID 67355077) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid.

Molecular Properties

Compound Name5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid
PubChem CID67355077
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid
SMILESO=C(O)C1CC2(CC2)CN1Cc1ccccc1
InChIInChI=1S/C14H17NO2/c16-13(17)12-8-14(6-7-14)10-15(12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)
InChIKeyAJTFZMHSPQHRQT-UHFFFAOYSA-N
XLogP2.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid?
The IUPAC name of 5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid (CID 67355077) is 5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid.
What is the SMILES notation for 5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid?
The canonical SMILES for 5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid is O=C(O)C1CC2(CC2)CN1Cc1ccccc1.
What is the InChIKey of 5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid?
The InChIKey is AJTFZMHSPQHRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-13(17)12-8-14(6-7-14)10-15(12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17).
What are the key properties of 5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid?
5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid has a molecular weight of 231.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid is sourced from PubChem (CID 67355077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).