(5S)-8-(2-hydroxyethyl)-2,6,8-triazaspiro[4.5]decan-7-one

C9H17N3O2 — CID 177340464

IUPAC(5S)-8-(2-hydroxyethyl)-2,6,8-triazaspiro[4.5]decan-7-one
SMILESO=C1N[C@@]2(CCNC2)CCN1CCO
InChIInChI=1S/C9H17N3O2/c13-6-5-12-4-2-9(11-8(12)14)1-3-10-7-9/h10,13H,1-7H2,(H,11,14)/t9-/m0/s1
InChIKeyQHSDLBYWFLTGOL-VIFPVBQESA-N
MW199.25 g/mol
LogP-0.87
Rot. Bonds2

About (5S)-8-(2-hydroxyethyl)-2,6,8-triazaspiro[4.5]decan-7-one

(5S)-8-(2-hydroxyethyl)-2,6,8-triazaspiro[4.5]decan-7-one (PubChem CID 177340464) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (5S)-8-(2-hydroxyethyl)-2,6,8-triazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(5S)-8-(2-hydroxyethyl)-2,6,8-triazaspiro[4.5]decan-7-one
PubChem CID177340464
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(5S)-8-(2-hydroxyethyl)-2,6,8-triazaspiro[4.5]decan-7-one
SMILESO=C1N[C@@]2(CCNC2)CCN1CCO
InChIInChI=1S/C9H17N3O2/c13-6-5-12-4-2-9(11-8(12)14)1-3-10-7-9/h10,13H,1-7H2,(H,11,14)/t9-/m0/s1
InChIKeyQHSDLBYWFLTGOL-VIFPVBQESA-N
XLogP-0.87
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxyethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 105467641
3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one
CID 83894911
4-hydroxy-3-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098622
2,7,10-triazaspiro[5.6]dodecan-8-one
CID 162422719
2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride
CID 162422718
cyclobutanol;1-(2-hydroxyethyl)imidazolidin-2-one
CID 174844984
2-(2-amino-2-methylpiperazin-1-yl)ethanol
CID 70286723
2-(2-hydroxyethyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione
CID 80732924
2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid
CID 151434915
3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509728
3-(2-hydroxyethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 12866
1,4-bis(2-hydroxyethyl)piperazine-2,5-dione
CID 15646785

Frequently Asked Questions

What is the IUPAC name of (5S)-8-(2-hydroxyethyl)-2,6,8-triazaspiro[4.5]decan-7-one?
The IUPAC name of (5S)-8-(2-hydroxyethyl)-2,6,8-triazaspiro[4.5]decan-7-one (CID 177340464) is (5S)-8-(2-hydroxyethyl)-2,6,8-triazaspiro[4.5]decan-7-one.
What is the SMILES notation for (5S)-8-(2-hydroxyethyl)-2,6,8-triazaspiro[4.5]decan-7-one?
The canonical SMILES for (5S)-8-(2-hydroxyethyl)-2,6,8-triazaspiro[4.5]decan-7-one is O=C1N[C@@]2(CCNC2)CCN1CCO.
What is the InChIKey of (5S)-8-(2-hydroxyethyl)-2,6,8-triazaspiro[4.5]decan-7-one?
The InChIKey is QHSDLBYWFLTGOL-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17N3O2/c13-6-5-12-4-2-9(11-8(12)14)1-3-10-7-9/h10,13H,1-7H2,(H,11,14)/t9-/m0/s1.
What are the key properties of (5S)-8-(2-hydroxyethyl)-2,6,8-triazaspiro[4.5]decan-7-one?
(5S)-8-(2-hydroxyethyl)-2,6,8-triazaspiro[4.5]decan-7-one has a molecular weight of 199.25 g/mol, XLogP of -0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-8-(2-hydroxyethyl)-2,6,8-triazaspiro[4.5]decan-7-one is sourced from PubChem (CID 177340464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).