2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid

C14H21NO4 — CID 65221711

IUPAC2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid
SMILESCCC(CN1C(=O)CC2(CCCCC2)C1=O)C(=O)O
InChIInChI=1S/C14H21NO4/c1-2-10(12(17)18)9-15-11(16)8-14(13(15)19)6-4-3-5-7-14/h10H,2-9H2,1H3,(H,17,18)
InChIKeyCHWABOAKXWALIA-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.81
Rot. Bonds4

About 2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid

2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid (PubChem CID 65221711) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid
PubChem CID65221711
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid
SMILESCCC(CN1C(=O)CC2(CCCCC2)C1=O)C(=O)O
InChIInChI=1S/C14H21NO4/c1-2-10(12(17)18)9-15-11(16)8-14(13(15)19)6-4-3-5-7-14/h10H,2-9H2,1H3,(H,17,18)
InChIKeyCHWABOAKXWALIA-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid?
The IUPAC name of 2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid (CID 65221711) is 2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid.
What is the SMILES notation for 2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid?
The canonical SMILES for 2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid is CCC(CN1C(=O)CC2(CCCCC2)C1=O)C(=O)O.
What is the InChIKey of 2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid?
The InChIKey is CHWABOAKXWALIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-2-10(12(17)18)9-15-11(16)8-14(13(15)19)6-4-3-5-7-14/h10H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid?
2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid has a molecular weight of 267.32 g/mol, XLogP of 1.81, 4 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[4.5]decan-2-yl)methyl]butanoic acid is sourced from PubChem (CID 65221711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).