2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetic acid

C15H24N2O3 — CID 58553934

IUPAC2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetic acid
SMILESCC(C)(C)C1=NC2(CCCCCC2)N(CC(=O)O)C1=O
InChIInChI=1S/C15H24N2O3/c1-14(2,3)12-13(20)17(10-11(18)19)15(16-12)8-6-4-5-7-9-15/h4-10H2,1-3H3,(H,18,19)
InChIKeyFMAFPSVVGITMNH-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.45
Rot. Bonds2

About 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetic acid

2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetic acid (PubChem CID 58553934) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetic acid
PubChem CID58553934
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetic acid
SMILESCC(C)(C)C1=NC2(CCCCCC2)N(CC(=O)O)C1=O
InChIInChI=1S/C15H24N2O3/c1-14(2,3)12-13(20)17(10-11(18)19)15(16-12)8-6-4-5-7-9-15/h4-10H2,1-3H3,(H,18,19)
InChIKeyFMAFPSVVGITMNH-UHFFFAOYSA-N
XLogP2.45
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetic acid?
The IUPAC name of 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetic acid (CID 58553934) is 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetic acid.
What is the SMILES notation for 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetic acid?
The canonical SMILES for 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetic acid is CC(C)(C)C1=NC2(CCCCCC2)N(CC(=O)O)C1=O.
What is the InChIKey of 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetic acid?
The InChIKey is FMAFPSVVGITMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-14(2,3)12-13(20)17(10-11(18)19)15(16-12)8-6-4-5-7-9-15/h4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetic acid?
2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetic acid has a molecular weight of 280.37 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetic acid is sourced from PubChem (CID 58553934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).