2-[(3S)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]propyl acetate

C14H25NO3 — CID 91930391

IUPAC2-[(3S)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]propyl acetate
SMILESCC(=O)OCC(C)[C@@]1(C)COC2(CCCCC2)N1
InChIInChI=1S/C14H25NO3/c1-11(9-17-12(2)16)13(3)10-18-14(15-13)7-5-4-6-8-14/h11,15H,4-10H2,1-3H3/t11?,13-/m1/s1
InChIKeyFBWKKQJOBCCPNU-GLGOKHISSA-N
MW255.36 g/mol
LogP2.22
Rot. Bonds3

About 2-[(3S)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]propyl acetate

2-[(3S)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]propyl acetate (PubChem CID 91930391) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(3S)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]propyl acetate.

Molecular Properties

Compound Name2-[(3S)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]propyl acetate
PubChem CID91930391
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[(3S)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]propyl acetate
SMILESCC(=O)OCC(C)[C@@]1(C)COC2(CCCCC2)N1
InChIInChI=1S/C14H25NO3/c1-11(9-17-12(2)16)13(3)10-18-14(15-13)7-5-4-6-8-14/h11,15H,4-10H2,1-3H3/t11?,13-/m1/s1
InChIKeyFBWKKQJOBCCPNU-GLGOKHISSA-N
XLogP2.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-(2-Methoxyethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930379
2-(3-Isobutyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930392
2-(3-Propyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930394
2-(3-Ethyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930397
2-(3-Methyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930400
(R)-2-(4-ethyl-2,2-dimethyloxazolidin-4-yl)ethyl acetate
CID 91930405
2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
CID 138969293

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]propyl acetate?
The IUPAC name of 2-[(3S)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]propyl acetate (CID 91930391) is 2-[(3S)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]propyl acetate.
What is the SMILES notation for 2-[(3S)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]propyl acetate?
The canonical SMILES for 2-[(3S)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]propyl acetate is CC(=O)OCC(C)[C@@]1(C)COC2(CCCCC2)N1.
What is the InChIKey of 2-[(3S)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]propyl acetate?
The InChIKey is FBWKKQJOBCCPNU-GLGOKHISSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11(9-17-12(2)16)13(3)10-18-14(15-13)7-5-4-6-8-14/h11,15H,4-10H2,1-3H3/t11?,13-/m1/s1.
What are the key properties of 2-[(3S)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]propyl acetate?
2-[(3S)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]propyl acetate has a molecular weight of 255.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]propyl acetate is sourced from PubChem (CID 91930391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).