3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide

C12H22N2O3 — CID 124954905

IUPAC3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide
SMILESNC(=O)CCN1CCC2(CC1)OCCC[C@@H]2O
InChIInChI=1S/C12H22N2O3/c13-11(16)3-6-14-7-4-12(5-8-14)10(15)2-1-9-17-12/h10,15H,1-9H2,(H2,13,16)/t10-/m0/s1
InChIKeyFFWSMZSIXSRZMC-JTQLQIEISA-N
MW242.32 g/mol
LogP-0.13
Rot. Bonds3

About 3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide

3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide (PubChem CID 124954905) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide.

Molecular Properties

Compound Name3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide
PubChem CID124954905
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide
SMILESNC(=O)CCN1CCC2(CC1)OCCC[C@@H]2O
InChIInChI=1S/C12H22N2O3/c13-11(16)3-6-14-7-4-12(5-8-14)10(15)2-1-9-17-12/h10,15H,1-9H2,(H2,13,16)/t10-/m0/s1
InChIKeyFFWSMZSIXSRZMC-JTQLQIEISA-N
XLogP-0.13
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide
CID 124751247
9-(2-amino-2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol;dihydrochloride
CID 154897763
2-cyclopropyl-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110159211
(5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 124965240
N-cyclopentyl-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 72870415
(4,4-difluorocyclohexyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124940455
(4,4-difluorocyclohexyl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110159642
9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 110156796
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one
CID 110159573
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
CID 97210246
9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 77097043
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
CID 97131081

Frequently Asked Questions

What is the IUPAC name of 3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide?
The IUPAC name of 3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide (CID 124954905) is 3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide.
What is the SMILES notation for 3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide?
The canonical SMILES for 3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide is NC(=O)CCN1CCC2(CC1)OCCC[C@@H]2O.
What is the InChIKey of 3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide?
The InChIKey is FFWSMZSIXSRZMC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O3/c13-11(16)3-6-14-7-4-12(5-8-14)10(15)2-1-9-17-12/h10,15H,1-9H2,(H2,13,16)/t10-/m0/s1.
What are the key properties of 3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide?
3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide has a molecular weight of 242.32 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide is sourced from PubChem (CID 124954905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).