3-(7-azaspiro[3.5]nonan-7-yl)propanoic acid

C11H19NO2 — CID 126990330

IUPAC3-(7-azaspiro[3.5]nonan-7-yl)propanoic acid
SMILESO=C(O)CCN1CCC2(CCC2)CC1
InChIInChI=1S/C11H19NO2/c13-10(14)2-7-12-8-5-11(6-9-12)3-1-4-11/h1-9H2,(H,13,14)
InChIKeyPRKCSAIJUGBPOQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.73
Rot. Bonds3

About 3-(7-azaspiro[3.5]nonan-7-yl)propanoic acid

3-(7-azaspiro[3.5]nonan-7-yl)propanoic acid (PubChem CID 126990330) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(7-azaspiro[3.5]nonan-7-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-azaspiro[3.5]nonan-7-yl)propanoic acid
PubChem CID126990330
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(7-azaspiro[3.5]nonan-7-yl)propanoic acid
SMILESO=C(O)CCN1CCC2(CCC2)CC1
InChIInChI=1S/C11H19NO2/c13-10(14)2-7-12-8-5-11(6-9-12)3-1-4-11/h1-9H2,(H,13,14)
InChIKeyPRKCSAIJUGBPOQ-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(7-azaspiro[3.5]nonan-7-yl)propanoic acid?
The IUPAC name of 3-(7-azaspiro[3.5]nonan-7-yl)propanoic acid (CID 126990330) is 3-(7-azaspiro[3.5]nonan-7-yl)propanoic acid.
What is the SMILES notation for 3-(7-azaspiro[3.5]nonan-7-yl)propanoic acid?
The canonical SMILES for 3-(7-azaspiro[3.5]nonan-7-yl)propanoic acid is O=C(O)CCN1CCC2(CCC2)CC1.
What is the InChIKey of 3-(7-azaspiro[3.5]nonan-7-yl)propanoic acid?
The InChIKey is PRKCSAIJUGBPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-10(14)2-7-12-8-5-11(6-9-12)3-1-4-11/h1-9H2,(H,13,14).
What are the key properties of 3-(7-azaspiro[3.5]nonan-7-yl)propanoic acid?
3-(7-azaspiro[3.5]nonan-7-yl)propanoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-azaspiro[3.5]nonan-7-yl)propanoic acid is sourced from PubChem (CID 126990330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).