2-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanoic acid

C23H35N3O3 — CID 130200978

IUPAC2-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanoic acid
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C(=O)O)C(C)(C)C)C(=O)N2
InChIInChI=1S/C23H35N3O3/c1-21(2,3)18(19(27)28)15-26-16-22(24-20(26)29)11-13-23(14-12-22,25(4)5)17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3,(H,24,29)(H,27,28)
InChIKeyKFTSUWFIPFKPPS-UHFFFAOYSA-N
MW401.55 g/mol
LogP3.53
Rot. Bonds5

About 2-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanoic acid

2-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanoic acid (PubChem CID 130200978) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 2-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanoic acid
PubChem CID130200978
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name2-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanoic acid
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C(=O)O)C(C)(C)C)C(=O)N2
InChIInChI=1S/C23H35N3O3/c1-21(2,3)18(19(27)28)15-26-16-22(24-20(26)29)11-13-23(14-12-22,25(4)5)17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3,(H,24,29)(H,27,28)
InChIKeyKFTSUWFIPFKPPS-UHFFFAOYSA-N
XLogP3.53
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-(dimethylamino)-3-ethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130246925
3-(1,3-benzodioxol-4-ylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202549
2-[2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide
CID 137407639
2-[8-(dimethylamino)-2-oxo-8-[3-(2,2,2-trifluoroacetyl)oxyphenyl]-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 130219638
8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130200962
3-benzyl-8-[2-cyclobutylethyl(methyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 156757577
5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid
CID 156757627
8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201282
methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxylate
CID 130200971
8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 130201435
8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 160636633
8-(dimethylamino)-3-[(3-methyl-6-piperazin-1-ylcyclohepta-1,6-dien-4-yn-1-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130249034

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanoic acid (CID 130200978) is 2-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanoic acid is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C(=O)O)C(C)(C)C)C(=O)N2.
What is the InChIKey of 2-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanoic acid?
The InChIKey is KFTSUWFIPFKPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-21(2,3)18(19(27)28)15-26-16-22(24-20(26)29)11-13-23(14-12-22,25(4)5)17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3,(H,24,29)(H,27,28).
What are the key properties of 2-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanoic acid?
2-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanoic acid has a molecular weight of 401.55 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 130200978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).