4-hydroxy-3-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one

C9H17N3O3 — CID 82098622

IUPAC4-hydroxy-3-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCNCC2)C(O)N1CCO
InChIInChI=1S/C9H17N3O3/c13-6-5-12-7(14)9(11-8(12)15)1-3-10-4-2-9/h7,10,13-14H,1-6H2,(H,11,15)
InChIKeyNNUWYIDFSLBLIB-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.56
Rot. Bonds2

About 4-hydroxy-3-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one

4-hydroxy-3-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 82098622) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-hydroxy-3-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID82098622
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name4-hydroxy-3-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCNCC2)C(O)N1CCO
InChIInChI=1S/C9H17N3O3/c13-6-5-12-7(14)9(11-8(12)15)1-3-10-4-2-9/h7,10,13-14H,1-6H2,(H,11,15)
InChIKeyNNUWYIDFSLBLIB-UHFFFAOYSA-N
XLogP-1.56
TPSA84.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 4-hydroxy-3-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one (CID 82098622) is 4-hydroxy-3-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-hydroxy-3-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one is O=C1NC2(CCNCC2)C(O)N1CCO.
What is the InChIKey of 4-hydroxy-3-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is NNUWYIDFSLBLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c13-6-5-12-7(14)9(11-8(12)15)1-3-10-4-2-9/h7,10,13-14H,1-6H2,(H,11,15).
What are the key properties of 4-hydroxy-3-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one?
4-hydroxy-3-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 215.25 g/mol, XLogP of -1.56, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 82098622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).