4-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)butanoic acid

C15H26N2O3 — CID 72853887

IUPAC4-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)butanoic acid
SMILESCC(C)N1CCCC2(CCN(CCCC(=O)O)C2)C1=O
InChIInChI=1S/C15H26N2O3/c1-12(2)17-9-4-6-15(14(17)20)7-10-16(11-15)8-3-5-13(18)19/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyJXMUHRLPIBLOKL-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.57
Rot. Bonds5

About 4-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)butanoic acid

4-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)butanoic acid (PubChem CID 72853887) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)butanoic acid
PubChem CID72853887
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)butanoic acid
SMILESCC(C)N1CCCC2(CCN(CCCC(=O)O)C2)C1=O
InChIInChI=1S/C15H26N2O3/c1-12(2)17-9-4-6-15(14(17)20)7-10-16(11-15)8-3-5-13(18)19/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyJXMUHRLPIBLOKL-UHFFFAOYSA-N
XLogP1.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-9-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 68051727
4-(3-Methyl-1-oxo-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-2-yl)butanoic acid
CID 91418288
3-(3-Methyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid
CID 123534300
(3S)-1-acetyl-3-propylpyrrolidine-3-carboxylic acid
CID 126659439
2,7-Di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 135259050
(3R)-2-tert-butyl-3-methyl-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid
CID 140275921
2-(3-Ethoxy-3-oxopropyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylic acid
CID 143399230
2,9-Di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 153514932
9-(2-Methylpropanoyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 156350344
1-[1-[(2S)-3-methylbutan-2-yl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 164113666
(2S)-3-methyl-2-(6-oxo-2,7-diazaspiro[4.5]decan-7-yl)butanoic acid
CID 167483926
7-Ethyl-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 170052251

Frequently Asked Questions

What is the IUPAC name of 4-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)butanoic acid?
The IUPAC name of 4-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)butanoic acid (CID 72853887) is 4-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)butanoic acid.
What is the SMILES notation for 4-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)butanoic acid?
The canonical SMILES for 4-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)butanoic acid is CC(C)N1CCCC2(CCN(CCCC(=O)O)C2)C1=O.
What is the InChIKey of 4-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)butanoic acid?
The InChIKey is JXMUHRLPIBLOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12(2)17-9-4-6-15(14(17)20)7-10-16(11-15)8-3-5-13(18)19/h12H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 4-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)butanoic acid?
4-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)butanoic acid has a molecular weight of 282.38 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)butanoic acid is sourced from PubChem (CID 72853887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).