2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid

C11H16N2O4 — CID 90330211

IUPAC2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid
SMILESCC(=O)N1CCCC12CCN(CC(=O)O)C2=O
InChIInChI=1S/C11H16N2O4/c1-8(14)13-5-2-3-11(13)4-6-12(10(11)17)7-9(15)16/h2-7H2,1H3,(H,15,16)
InChIKeyJSQULZDNIYGHOL-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.32
Rot. Bonds2

About 2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid

2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid (PubChem CID 90330211) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid.

Molecular Properties

Compound Name2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid
PubChem CID90330211
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid
SMILESCC(=O)N1CCCC12CCN(CC(=O)O)C2=O
InChIInChI=1S/C11H16N2O4/c1-8(14)13-5-2-3-11(13)4-6-12(10(11)17)7-9(15)16/h2-7H2,1H3,(H,15,16)
InChIKeyJSQULZDNIYGHOL-UHFFFAOYSA-N
XLogP-0.32
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid?
The IUPAC name of 2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid (CID 90330211) is 2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid.
What is the SMILES notation for 2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid?
The canonical SMILES for 2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid is CC(=O)N1CCCC12CCN(CC(=O)O)C2=O.
What is the InChIKey of 2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid?
The InChIKey is JSQULZDNIYGHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8(14)13-5-2-3-11(13)4-6-12(10(11)17)7-9(15)16/h2-7H2,1H3,(H,15,16).
What are the key properties of 2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid?
2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid has a molecular weight of 240.26 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid is sourced from PubChem (CID 90330211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).