5-(2-azaspiro[3.5]nonan-2-yl)-2-chlorobenzoic acid

C15H18ClNO2 — CID 79694936

IUPAC5-(2-azaspiro[3.5]nonan-2-yl)-2-chlorobenzoic acid
SMILESO=C(O)c1cc(N2CC3(CCCCC3)C2)ccc1Cl
InChIInChI=1S/C15H18ClNO2/c16-13-5-4-11(8-12(13)14(18)19)17-9-15(10-17)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9-10H2,(H,18,19)
InChIKeyJRLHZXVGFRQRSS-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.81
Rot. Bonds2

About 5-(2-azaspiro[3.5]nonan-2-yl)-2-chlorobenzoic acid

5-(2-azaspiro[3.5]nonan-2-yl)-2-chlorobenzoic acid (PubChem CID 79694936) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 5-(2-azaspiro[3.5]nonan-2-yl)-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-(2-azaspiro[3.5]nonan-2-yl)-2-chlorobenzoic acid
PubChem CID79694936
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name5-(2-azaspiro[3.5]nonan-2-yl)-2-chlorobenzoic acid
SMILESO=C(O)c1cc(N2CC3(CCCCC3)C2)ccc1Cl
InChIInChI=1S/C15H18ClNO2/c16-13-5-4-11(8-12(13)14(18)19)17-9-15(10-17)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9-10H2,(H,18,19)
InChIKeyJRLHZXVGFRQRSS-UHFFFAOYSA-N
XLogP3.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-azaspiro[3.5]nonan-2-yl)-2-chlorobenzoic acid?
The IUPAC name of 5-(2-azaspiro[3.5]nonan-2-yl)-2-chlorobenzoic acid (CID 79694936) is 5-(2-azaspiro[3.5]nonan-2-yl)-2-chlorobenzoic acid.
What is the SMILES notation for 5-(2-azaspiro[3.5]nonan-2-yl)-2-chlorobenzoic acid?
The canonical SMILES for 5-(2-azaspiro[3.5]nonan-2-yl)-2-chlorobenzoic acid is O=C(O)c1cc(N2CC3(CCCCC3)C2)ccc1Cl.
What is the InChIKey of 5-(2-azaspiro[3.5]nonan-2-yl)-2-chlorobenzoic acid?
The InChIKey is JRLHZXVGFRQRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c16-13-5-4-11(8-12(13)14(18)19)17-9-15(10-17)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9-10H2,(H,18,19).
What are the key properties of 5-(2-azaspiro[3.5]nonan-2-yl)-2-chlorobenzoic acid?
5-(2-azaspiro[3.5]nonan-2-yl)-2-chlorobenzoic acid has a molecular weight of 279.77 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azaspiro[3.5]nonan-2-yl)-2-chlorobenzoic acid is sourced from PubChem (CID 79694936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).