2-cyclobutyl-9-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one

C17H29N3O3 — CID 72858851

IUPAC2-cyclobutyl-9-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN[C@@H](CO)C(=O)N1CCC2(CCC(=O)N(C3CCC3)C2)CC1
InChIInChI=1S/C17H29N3O3/c1-18-14(11-21)16(23)19-9-7-17(8-10-19)6-5-15(22)20(12-17)13-3-2-4-13/h13-14,18,21H,2-12H2,1H3/t14-/m0/s1
InChIKeyUNKFFYZEGFDDIS-AWEZNQCLSA-N
MW323.44 g/mol
LogP0.35
Rot. Bonds4

About 2-cyclobutyl-9-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one

2-cyclobutyl-9-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72858851) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-cyclobutyl-9-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclobutyl-9-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72858851
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name2-cyclobutyl-9-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN[C@@H](CO)C(=O)N1CCC2(CCC(=O)N(C3CCC3)C2)CC1
InChIInChI=1S/C17H29N3O3/c1-18-14(11-21)16(23)19-9-7-17(8-10-19)6-5-15(22)20(12-17)13-3-2-4-13/h13-14,18,21H,2-12H2,1H3/t14-/m0/s1
InChIKeyUNKFFYZEGFDDIS-AWEZNQCLSA-N
XLogP0.35
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97156415
9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97113341
2-cyclopentyl-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72853987
2-cyclopropyl-3-oxo-N-[(1R)-1-phenylpropyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70710449
2-cyclopropyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97152093
9-[(4S)-azepane-4-carbonyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148411
9-[(4R)-azepane-4-carbonyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148412
9-(azepane-4-carbonyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72923495
2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154897310
2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70760251
2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72900797
2-cyclopropyl-9-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97128373

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-9-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclobutyl-9-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72858851) is 2-cyclobutyl-9-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclobutyl-9-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclobutyl-9-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one is CN[C@@H](CO)C(=O)N1CCC2(CCC(=O)N(C3CCC3)C2)CC1.
What is the InChIKey of 2-cyclobutyl-9-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is UNKFFYZEGFDDIS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-18-14(11-21)16(23)19-9-7-17(8-10-19)6-5-15(22)20(12-17)13-3-2-4-13/h13-14,18,21H,2-12H2,1H3/t14-/m0/s1.
What are the key properties of 2-cyclobutyl-9-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclobutyl-9-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 323.44 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-9-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72858851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).