2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid

C11H15NO4 — CID 43414329

IUPAC2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid
SMILESCC(C(=O)O)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C11H15NO4/c1-7(9(14)15)12-8(13)6-11(10(12)16)4-2-3-5-11/h7H,2-6H2,1H3,(H,14,15)
InChIKeyJRJQHMQZEZDDQY-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.78
Rot. Bonds2

About 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid

2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid (PubChem CID 43414329) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid
PubChem CID43414329
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid
SMILESCC(C(=O)O)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C11H15NO4/c1-7(9(14)15)12-8(13)6-11(10(12)16)4-2-3-5-11/h7H,2-6H2,1H3,(H,14,15)
InChIKeyJRJQHMQZEZDDQY-UHFFFAOYSA-N
XLogP0.78
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-Dioxo-2-azaspiro[4.5]decan-2-yl)acetic acid
CID 10036606
2-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792174
2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid
CID 58608213
(2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid
CID 59746635
2-(3-Butyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 67270581
2-(1-Ethyl-3-oxo-2-azaspiro[4.4]nonan-2-yl)acetic acid
CID 70590550
(2S)-4-methyl-2-(1-oxo-2-azaspiro[4.4]nonan-2-yl)pentanoic acid
CID 123459384
(2S)-2-[6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)hexanoyl-methylamino]propanoic acid
CID 155399767
3-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid
CID 24217906
2-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)acetic acid
CID 24217907
2-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylbutanoic acid
CID 43386025
2-(1,3-Dioxo-2-azaspiro[4.5]decan-2-yl)-3-methylbutanoic acid
CID 43386026

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid?
The IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid (CID 43414329) is 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid.
What is the SMILES notation for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid?
The canonical SMILES for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid is CC(C(=O)O)N1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid?
The InChIKey is JRJQHMQZEZDDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7(9(14)15)12-8(13)6-11(10(12)16)4-2-3-5-11/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid?
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid is sourced from PubChem (CID 43414329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).