8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one

C24H29N3O2 — CID 72877372

IUPAC8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one
SMILESN[C@@H](Cc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)C2
InChIInChI=1S/C24H29N3O2/c25-21(15-19-7-3-1-4-8-19)23(29)26-13-11-24(12-14-26)16-22(28)27(18-24)17-20-9-5-2-6-10-20/h1-10,21H,11-18,25H2/t21-/m0/s1
InChIKeyWVXAOTKVFVTNQD-NRFANRHFSA-N
MW391.51 g/mol
LogP2.60
Rot. Bonds5

About 8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one

8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72877372) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72877372
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one
SMILESN[C@@H](Cc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)C2
InChIInChI=1S/C24H29N3O2/c25-21(15-19-7-3-1-4-8-19)23(29)26-13-11-24(12-14-26)16-22(28)27(18-24)17-20-9-5-2-6-10-20/h1-10,21H,11-18,25H2/t21-/m0/s1
InChIKeyWVXAOTKVFVTNQD-NRFANRHFSA-N
XLogP2.60
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154899933
2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97268865
2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70746596
2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70787556
2-benzyl-9-[(2S)-2-methylsulfanylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97152355
2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72838673
2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 70746319
2-benzyl-9-[3-(dimethylamino)-2-methylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72937334
2-benzyl-9-(2-ethylsulfanylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72922405
2-benzyl-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72853673
9-[(2S)-2-amino-3-hydroxypropanoyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72879649
8-[(2S)-2-aminohexanoyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154899239

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one (CID 72877372) is 8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one is N[C@@H](Cc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)C2.
What is the InChIKey of 8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is WVXAOTKVFVTNQD-NRFANRHFSA-N. The full InChI is InChI=1S/C24H29N3O2/c25-21(15-19-7-3-1-4-8-19)23(29)26-13-11-24(12-14-26)16-22(28)27(18-24)17-20-9-5-2-6-10-20/h1-10,21H,11-18,25H2/t21-/m0/s1.
What are the key properties of 8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one?
8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 391.51 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72877372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).