(2S)-3-methyl-2-(6-oxo-2,7-diazaspiro[4.5]decan-7-yl)butanoic acid

C13H22N2O3 — CID 167483926

IUPAC(2S)-3-methyl-2-(6-oxo-2,7-diazaspiro[4.5]decan-7-yl)butanoic acid
SMILESCC(C)[C@@H](C(=O)O)N1CCCC2(CCNC2)C1=O
InChIInChI=1S/C13H22N2O3/c1-9(2)10(11(16)17)15-7-3-4-13(12(15)18)5-6-14-8-13/h9-10,14H,3-8H2,1-2H3,(H,16,17)/t10-,13?/m0/s1
InChIKeyRLICCFRNLKOKPX-NKUHCKNESA-N
MW254.33 g/mol
LogP0.70
Rot. Bonds3

About (2S)-3-methyl-2-(6-oxo-2,7-diazaspiro[4.5]decan-7-yl)butanoic acid

(2S)-3-methyl-2-(6-oxo-2,7-diazaspiro[4.5]decan-7-yl)butanoic acid (PubChem CID 167483926) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S)-3-methyl-2-(6-oxo-2,7-diazaspiro[4.5]decan-7-yl)butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-(6-oxo-2,7-diazaspiro[4.5]decan-7-yl)butanoic acid
PubChem CID167483926
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(2S)-3-methyl-2-(6-oxo-2,7-diazaspiro[4.5]decan-7-yl)butanoic acid
SMILESCC(C)[C@@H](C(=O)O)N1CCCC2(CCNC2)C1=O
InChIInChI=1S/C13H22N2O3/c1-9(2)10(11(16)17)15-7-3-4-13(12(15)18)5-6-14-8-13/h9-10,14H,3-8H2,1-2H3,(H,16,17)/t10-,13?/m0/s1
InChIKeyRLICCFRNLKOKPX-NKUHCKNESA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(6-oxo-2,7-diazaspiro[4.5]decan-7-yl)butanoic acid?
The IUPAC name of (2S)-3-methyl-2-(6-oxo-2,7-diazaspiro[4.5]decan-7-yl)butanoic acid (CID 167483926) is (2S)-3-methyl-2-(6-oxo-2,7-diazaspiro[4.5]decan-7-yl)butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-(6-oxo-2,7-diazaspiro[4.5]decan-7-yl)butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-(6-oxo-2,7-diazaspiro[4.5]decan-7-yl)butanoic acid is CC(C)[C@@H](C(=O)O)N1CCCC2(CCNC2)C1=O.
What is the InChIKey of (2S)-3-methyl-2-(6-oxo-2,7-diazaspiro[4.5]decan-7-yl)butanoic acid?
The InChIKey is RLICCFRNLKOKPX-NKUHCKNESA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(2)10(11(16)17)15-7-3-4-13(12(15)18)5-6-14-8-13/h9-10,14H,3-8H2,1-2H3,(H,16,17)/t10-,13?/m0/s1.
What are the key properties of (2S)-3-methyl-2-(6-oxo-2,7-diazaspiro[4.5]decan-7-yl)butanoic acid?
(2S)-3-methyl-2-(6-oxo-2,7-diazaspiro[4.5]decan-7-yl)butanoic acid has a molecular weight of 254.33 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(6-oxo-2,7-diazaspiro[4.5]decan-7-yl)butanoic acid is sourced from PubChem (CID 167483926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).