(2S)-9-amino-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one

C12H23N3O — CID 82391616

IUPAC(2S)-9-amino-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one
SMILESCC(C)[C@@H]1NC2(CCC(N)CC2)CNC1=O
InChIInChI=1S/C12H23N3O/c1-8(2)10-11(16)14-7-12(15-10)5-3-9(13)4-6-12/h8-10,15H,3-7,13H2,1-2H3,(H,14,16)/t9?,10-,12?/m0/s1
InChIKeyMASDQNLGIQKGEL-YZRBJQDESA-N
MW225.34 g/mol
LogP0.37
Rot. Bonds1

About (2S)-9-amino-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one

(2S)-9-amino-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one (PubChem CID 82391616) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (2S)-9-amino-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2S)-9-amino-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one
PubChem CID82391616
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(2S)-9-amino-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one
SMILESCC(C)[C@@H]1NC2(CCC(N)CC2)CNC1=O
InChIInChI=1S/C12H23N3O/c1-8(2)10-11(16)14-7-12(15-10)5-3-9(13)4-6-12/h8-10,15H,3-7,13H2,1-2H3,(H,14,16)/t9?,10-,12?/m0/s1
InChIKeyMASDQNLGIQKGEL-YZRBJQDESA-N
XLogP0.37
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one
CID 131543216
(2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one
CID 96604555
(3'S)-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-piperazine]-2'-one
CID 82388920
(2R)-2-(2-methylpropyl)-1,4-diazaspiro[5.6]dodecan-3-one
CID 96592688
(2R)-2-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-3-one
CID 82391615
(3S)-5-cyclopropyl-3-propan-2-ylpiperazin-2-one
CID 82407658
(5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one
CID 59884179
trans-(12S,17S)-12,17-di(propan-2-yl)-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,14,15,18-tetrone
CID 101211203
6,6-dimethyl-3-propan-2-ylpiperidin-2-one
CID 157148346
(3R)-5,5-dimethyl-3-(2-methylpropyl)piperazin-2-one
CID 92975056
2-methyl-5-propan-2-ylimidazolidin-4-one
CID 55287744
3-propan-2-ylpyrrolidin-2-one;(3S)-3-propan-2-ylpyrrolidin-2-one;(3R)-3-propan-2-ylpyrrolidin-2-one
CID 158680886

Frequently Asked Questions

What is the IUPAC name of (2S)-9-amino-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2S)-9-amino-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one (CID 82391616) is (2S)-9-amino-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2S)-9-amino-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2S)-9-amino-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one is CC(C)[C@@H]1NC2(CCC(N)CC2)CNC1=O.
What is the InChIKey of (2S)-9-amino-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one?
The InChIKey is MASDQNLGIQKGEL-YZRBJQDESA-N. The full InChI is InChI=1S/C12H23N3O/c1-8(2)10-11(16)14-7-12(15-10)5-3-9(13)4-6-12/h8-10,15H,3-7,13H2,1-2H3,(H,14,16)/t9?,10-,12?/m0/s1.
What are the key properties of (2S)-9-amino-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one?
(2S)-9-amino-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one has a molecular weight of 225.34 g/mol, XLogP of 0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-9-amino-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 82391616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).