2-(2-acetyl-2-azaspiro[4.4]nonan-8-yl)acetic acid

C12H19NO3 — CID 166000231

IUPAC2-(2-acetyl-2-azaspiro[4.4]nonan-8-yl)acetic acid
SMILESCC(=O)N1CCC2(CCC(CC(=O)O)C2)C1
InChIInChI=1S/C12H19NO3/c1-9(14)13-5-4-12(8-13)3-2-10(7-12)6-11(15)16/h10H,2-8H2,1H3,(H,15,16)
InChIKeyAJICBXOAPKOJCB-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.50
Rot. Bonds2

About 2-(2-acetyl-2-azaspiro[4.4]nonan-8-yl)acetic acid

2-(2-acetyl-2-azaspiro[4.4]nonan-8-yl)acetic acid (PubChem CID 166000231) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2-acetyl-2-azaspiro[4.4]nonan-8-yl)acetic acid.

Molecular Properties

Compound Name2-(2-acetyl-2-azaspiro[4.4]nonan-8-yl)acetic acid
PubChem CID166000231
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(2-acetyl-2-azaspiro[4.4]nonan-8-yl)acetic acid
SMILESCC(=O)N1CCC2(CCC(CC(=O)O)C2)C1
InChIInChI=1S/C12H19NO3/c1-9(14)13-5-4-12(8-13)3-2-10(7-12)6-11(15)16/h10H,2-8H2,1H3,(H,15,16)
InChIKeyAJICBXOAPKOJCB-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone
CID 71628998
2-(9-acetyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetic acid
CID 90488086
(2S)-2-amino-1-[(5R,8R)-8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 98084168
2-amino-1-[8-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 71633303
(2S)-2-amino-1-[(5S,8S)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 129373046
(2S)-2-amino-1-[(5R,8S)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 129373047
1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone
CID 174195325
2-spiro[4.5]decan-9-ylacetic acid
CID 150402729
2-acetyl-8-(2-cyclopentylacetyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 134078658
(2S)-2-amino-3-methyl-1-[(5S,8R)-8-(sulfanylmethyl)-2-azaspiro[4.4]nonan-2-yl]butan-1-one
CID 98083835
2-[(5R,8S)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]acetic acid
CID 129460684
2-[(5S,8S)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]acetic acid
CID 129460683

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-2-azaspiro[4.4]nonan-8-yl)acetic acid?
The IUPAC name of 2-(2-acetyl-2-azaspiro[4.4]nonan-8-yl)acetic acid (CID 166000231) is 2-(2-acetyl-2-azaspiro[4.4]nonan-8-yl)acetic acid.
What is the SMILES notation for 2-(2-acetyl-2-azaspiro[4.4]nonan-8-yl)acetic acid?
The canonical SMILES for 2-(2-acetyl-2-azaspiro[4.4]nonan-8-yl)acetic acid is CC(=O)N1CCC2(CCC(CC(=O)O)C2)C1.
What is the InChIKey of 2-(2-acetyl-2-azaspiro[4.4]nonan-8-yl)acetic acid?
The InChIKey is AJICBXOAPKOJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(14)13-5-4-12(8-13)3-2-10(7-12)6-11(15)16/h10H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-(2-acetyl-2-azaspiro[4.4]nonan-8-yl)acetic acid?
2-(2-acetyl-2-azaspiro[4.4]nonan-8-yl)acetic acid has a molecular weight of 225.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-2-azaspiro[4.4]nonan-8-yl)acetic acid is sourced from PubChem (CID 166000231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).