spiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-carboxylic acid

C11H17NO2 — CID 70434375

IUPACspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC3CCC2C3)C1
InChIInChI=1S/C11H17NO2/c13-10(14)12-4-3-11(7-12)6-8-1-2-9(11)5-8/h8-9H,1-7H2,(H,13,14)
InChIKeyABTOBQWEFQIDTN-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.18
Rot. Bonds

About spiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-carboxylic acid

spiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-carboxylic acid (PubChem CID 70434375) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is spiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-carboxylic acid.

Molecular Properties

Compound Namespiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-carboxylic acid
PubChem CID70434375
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namespiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC3CCC2C3)C1
InChIInChI=1S/C11H17NO2/c13-10(14)12-4-3-11(7-12)6-8-1-2-9(11)5-8/h8-9H,1-7H2,(H,13,14)
InChIKeyABTOBQWEFQIDTN-UHFFFAOYSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-carboxylic acid?
The IUPAC name of spiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-carboxylic acid (CID 70434375) is spiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-carboxylic acid.
What is the SMILES notation for spiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-carboxylic acid?
The canonical SMILES for spiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-carboxylic acid is O=C(O)N1CCC2(CC3CCC2C3)C1.
What is the InChIKey of spiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-carboxylic acid?
The InChIKey is ABTOBQWEFQIDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-10(14)12-4-3-11(7-12)6-8-1-2-9(11)5-8/h8-9H,1-7H2,(H,13,14).
What are the key properties of spiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-carboxylic acid?
spiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-carboxylic acid has a molecular weight of 195.26 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-carboxylic acid is sourced from PubChem (CID 70434375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).