2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanoic acid

C14H21NO4 — CID 61071302

IUPAC2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C14H21NO4/c1-2-5-10(13(18)19)15-11(16)8-14(9-12(15)17)6-3-4-7-14/h10H,2-9H2,1H3,(H,18,19)
InChIKeyXCGXUQVXCUSPIA-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.95
Rot. Bonds4

About 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanoic acid

2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanoic acid (PubChem CID 61071302) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanoic acid.

Molecular Properties

Compound Name2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanoic acid
PubChem CID61071302
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C14H21NO4/c1-2-5-10(13(18)19)15-11(16)8-14(9-12(15)17)6-3-4-7-14/h10H,2-9H2,1H3,(H,18,19)
InChIKeyXCGXUQVXCUSPIA-UHFFFAOYSA-N
XLogP1.95
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.95
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-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid
CID 62931902
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanethioamide
CID 61122705
2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)hexanoic acid
CID 43470102
3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid
CID 61071116
2-(3,5-dioxothiomorpholin-4-yl)hexanoic acid
CID 104570388
8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione
CID 114010142
2-[3,5-bis(1-carboxybutyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]pentanoic acid
CID 139846064
2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid
CID 65222106
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
CID 61036813
methyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate
CID 4692747
2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid
CID 43804746
2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid
CID 83041929

Frequently Asked Questions

What is the IUPAC name of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanoic acid?
The IUPAC name of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanoic acid (CID 61071302) is 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanoic acid.
What is the SMILES notation for 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanoic acid?
The canonical SMILES for 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanoic acid is CCCC(C(=O)O)N1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanoic acid?
The InChIKey is XCGXUQVXCUSPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-2-5-10(13(18)19)15-11(16)8-14(9-12(15)17)6-3-4-7-14/h10H,2-9H2,1H3,(H,18,19).
What are the key properties of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanoic acid?
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanoic acid has a molecular weight of 267.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanoic acid is sourced from PubChem (CID 61071302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).