9-[(2S)-2-aminobutanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride

C12H24Cl2N4O2 — CID 154886277

IUPAC9-[(2S)-2-aminobutanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride
SMILESCC[C@H](N)C(=O)N1CCC2(CC1)NCCNC2=O.Cl.Cl
InChIInChI=1S/C12H22N4O2.2ClH/c1-2-9(13)10(17)16-7-3-12(4-8-16)11(18)14-5-6-15-12;;/h9,15H,2-8,13H2,1H3,(H,14,18);2*1H/t9-;;/m0../s1
InChIKeyLDZRQQPTCQOEHG-WWPIYYJJSA-N
MW327.26 g/mol
LogP-0.35
Rot. Bonds2

About 9-[(2S)-2-aminobutanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride

9-[(2S)-2-aminobutanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride (PubChem CID 154886277) has the molecular formula C12H24Cl2N4O2 and a molecular weight of 327.26 g/mol. Its IUPAC name is 9-[(2S)-2-aminobutanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride.

Molecular Properties

Compound Name9-[(2S)-2-aminobutanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride
PubChem CID154886277
Molecular FormulaC12H24Cl2N4O2
Molecular Weight327.26 g/mol
Exact Mass326.13
IUPAC Name9-[(2S)-2-aminobutanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride
SMILESCC[C@H](N)C(=O)N1CCC2(CC1)NCCNC2=O.Cl.Cl
InChIInChI=1S/C12H22N4O2.2ClH/c1-2-9(13)10(17)16-7-3-12(4-8-16)11(18)14-5-6-15-12;;/h9,15H,2-8,13H2,1H3,(H,14,18);2*1H/t9-;;/m0../s1
InChIKeyLDZRQQPTCQOEHG-WWPIYYJJSA-N
XLogP-0.35
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 9-[(2S)-2-aminobutanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride with MolForge

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Related Compounds

4-[(2S)-2-aminobutanoyl]piperazin-2-one
CID 79025324
1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid
CID 79023198
(2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one
CID 103356010
1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one
CID 60893476
9,10-dimethyl-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride
CID 155895577
(2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 112737765
8-(2-amino-3-methylpentanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60963359
3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid
CID 64894748
9-[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 95194454
1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride
CID 86812140
(2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one
CID 79025535
N-cyclohexyl-2-oxo-2-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)acetamide
CID 56749581

Frequently Asked Questions

What is the IUPAC name of 9-[(2S)-2-aminobutanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride?
The IUPAC name of 9-[(2S)-2-aminobutanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride (CID 154886277) is 9-[(2S)-2-aminobutanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride.
What is the SMILES notation for 9-[(2S)-2-aminobutanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride?
The canonical SMILES for 9-[(2S)-2-aminobutanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride is CC[C@H](N)C(=O)N1CCC2(CC1)NCCNC2=O.Cl.Cl.
What is the InChIKey of 9-[(2S)-2-aminobutanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride?
The InChIKey is LDZRQQPTCQOEHG-WWPIYYJJSA-N. The full InChI is InChI=1S/C12H22N4O2.2ClH/c1-2-9(13)10(17)16-7-3-12(4-8-16)11(18)14-5-6-15-12;;/h9,15H,2-8,13H2,1H3,(H,14,18);2*1H/t9-;;/m0../s1.
What are the key properties of 9-[(2S)-2-aminobutanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride?
9-[(2S)-2-aminobutanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride has a molecular weight of 327.26 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2S)-2-aminobutanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride is sourced from PubChem (CID 154886277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).