(4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one

C8H13NO3 — CID 125180842

IUPAC(4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one
SMILESO=C1NCC2(CCOCC2)[C@@H]1O
InChIInChI=1S/C8H13NO3/c10-6-7(11)9-5-8(6)1-3-12-4-2-8/h6,10H,1-5H2,(H,9,11)/t6-/m1/s1
InChIKeyBADLYCFWHCPEOD-ZCFIWIBFSA-N
MW171.20 g/mol
LogP-0.73
Rot. Bonds

About (4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one

(4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one (PubChem CID 125180842) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one
PubChem CID125180842
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one
SMILESO=C1NCC2(CCOCC2)[C@@H]1O
InChIInChI=1S/C8H13NO3/c10-6-7(11)9-5-8(6)1-3-12-4-2-8/h6,10H,1-5H2,(H,9,11)/t6-/m1/s1
InChIKeyBADLYCFWHCPEOD-ZCFIWIBFSA-N
XLogP-0.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one?
The IUPAC name of (4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one (CID 125180842) is (4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for (4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for (4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one is O=C1NCC2(CCOCC2)[C@@H]1O.
What is the InChIKey of (4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one?
The InChIKey is BADLYCFWHCPEOD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13NO3/c10-6-7(11)9-5-8(6)1-3-12-4-2-8/h6,10H,1-5H2,(H,9,11)/t6-/m1/s1.
What are the key properties of (4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one?
(4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one has a molecular weight of 171.20 g/mol, XLogP of -0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 125180842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).