2-(1-ethyl-3-oxo-2-azaspiro[4.4]nonan-2-yl)acetic acid

C12H19NO3 — CID 70590550

IUPAC2-(1-ethyl-3-oxo-2-azaspiro[4.4]nonan-2-yl)acetic acid
SMILESCCC1N(CC(=O)O)C(=O)CC12CCCC2
InChIInChI=1S/C12H19NO3/c1-2-9-12(5-3-4-6-12)7-10(14)13(9)8-11(15)16/h9H,2-8H2,1H3,(H,15,16)
InChIKeyUSGCQGSDARWPBV-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.64
Rot. Bonds3

About 2-(1-ethyl-3-oxo-2-azaspiro[4.4]nonan-2-yl)acetic acid

2-(1-ethyl-3-oxo-2-azaspiro[4.4]nonan-2-yl)acetic acid (PubChem CID 70590550) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(1-ethyl-3-oxo-2-azaspiro[4.4]nonan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethyl-3-oxo-2-azaspiro[4.4]nonan-2-yl)acetic acid
PubChem CID70590550
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(1-ethyl-3-oxo-2-azaspiro[4.4]nonan-2-yl)acetic acid
SMILESCCC1N(CC(=O)O)C(=O)CC12CCCC2
InChIInChI=1S/C12H19NO3/c1-2-9-12(5-3-4-6-12)7-10(14)13(9)8-11(15)16/h9H,2-8H2,1H3,(H,15,16)
InChIKeyUSGCQGSDARWPBV-UHFFFAOYSA-N
XLogP1.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3-oxo-2-azaspiro[4.4]nonan-2-yl)acetic acid?
The IUPAC name of 2-(1-ethyl-3-oxo-2-azaspiro[4.4]nonan-2-yl)acetic acid (CID 70590550) is 2-(1-ethyl-3-oxo-2-azaspiro[4.4]nonan-2-yl)acetic acid.
What is the SMILES notation for 2-(1-ethyl-3-oxo-2-azaspiro[4.4]nonan-2-yl)acetic acid?
The canonical SMILES for 2-(1-ethyl-3-oxo-2-azaspiro[4.4]nonan-2-yl)acetic acid is CCC1N(CC(=O)O)C(=O)CC12CCCC2.
What is the InChIKey of 2-(1-ethyl-3-oxo-2-azaspiro[4.4]nonan-2-yl)acetic acid?
The InChIKey is USGCQGSDARWPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-9-12(5-3-4-6-12)7-10(14)13(9)8-11(15)16/h9H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-(1-ethyl-3-oxo-2-azaspiro[4.4]nonan-2-yl)acetic acid?
2-(1-ethyl-3-oxo-2-azaspiro[4.4]nonan-2-yl)acetic acid has a molecular weight of 225.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3-oxo-2-azaspiro[4.4]nonan-2-yl)acetic acid is sourced from PubChem (CID 70590550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).