N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]cyclobutanecarboxamide

C13H21NO3 — CID 178190774

IUPACN-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]cyclobutanecarboxamide
SMILESO=C(N[C@H]1C[C@H](O)C12CCOCC2)C1CCC1
InChIInChI=1S/C13H21NO3/c15-11-8-10(13(11)4-6-17-7-5-13)14-12(16)9-2-1-3-9/h9-11,15H,1-8H2,(H,14,16)/t10-,11-/m0/s1
InChIKeyVQXBKVQNJKSGFH-QWRGUYRKSA-N
MW239.31 g/mol
LogP0.83
Rot. Bonds2

About N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]cyclobutanecarboxamide

N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]cyclobutanecarboxamide (PubChem CID 178190774) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]cyclobutanecarboxamide
PubChem CID178190774
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]cyclobutanecarboxamide
SMILESO=C(N[C@H]1C[C@H](O)C12CCOCC2)C1CCC1
InChIInChI=1S/C13H21NO3/c15-11-8-10(13(11)4-6-17-7-5-13)14-12(16)9-2-1-3-9/h9-11,15H,1-8H2,(H,14,16)/t10-,11-/m0/s1
InChIKeyVQXBKVQNJKSGFH-QWRGUYRKSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]cyclobutanecarboxamide (CID 178190774) is N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]cyclobutanecarboxamide is O=C(N[C@H]1C[C@H](O)C12CCOCC2)C1CCC1.
What is the InChIKey of N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]cyclobutanecarboxamide?
The InChIKey is VQXBKVQNJKSGFH-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H21NO3/c15-11-8-10(13(11)4-6-17-7-5-13)14-12(16)9-2-1-3-9/h9-11,15H,1-8H2,(H,14,16)/t10-,11-/m0/s1.
What are the key properties of N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]cyclobutanecarboxamide?
N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]cyclobutanecarboxamide has a molecular weight of 239.31 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]cyclobutanecarboxamide is sourced from PubChem (CID 178190774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).