2-cyclobutyl-2-hydroxy-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetamide

C11H17NO3 — CID 128580043

IUPAC2-cyclobutyl-2-hydroxy-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetamide
SMILESO=C(NC1[C@H]2COC[C@@H]12)C(O)C1CCC1
InChIInChI=1S/C11H17NO3/c13-10(6-2-1-3-6)11(14)12-9-7-4-15-5-8(7)9/h6-10,13H,1-5H2,(H,12,14)/t7-,8+,9?,10?
InChIKeyAKJVSAQYVOOXRO-BQKDNTBBSA-N
MW211.26 g/mol
LogP-0.09
Rot. Bonds3

About 2-cyclobutyl-2-hydroxy-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetamide

2-cyclobutyl-2-hydroxy-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetamide (PubChem CID 128580043) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-cyclobutyl-2-hydroxy-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetamide.

Molecular Properties

Compound Name2-cyclobutyl-2-hydroxy-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetamide
PubChem CID128580043
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-cyclobutyl-2-hydroxy-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetamide
SMILESO=C(NC1[C@H]2COC[C@@H]12)C(O)C1CCC1
InChIInChI=1S/C11H17NO3/c13-10(6-2-1-3-6)11(14)12-9-7-4-15-5-8(7)9/h6-10,13H,1-5H2,(H,12,14)/t7-,8+,9?,10?
InChIKeyAKJVSAQYVOOXRO-BQKDNTBBSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-hydroxy-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetamide?
The IUPAC name of 2-cyclobutyl-2-hydroxy-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetamide (CID 128580043) is 2-cyclobutyl-2-hydroxy-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetamide.
What is the SMILES notation for 2-cyclobutyl-2-hydroxy-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetamide?
The canonical SMILES for 2-cyclobutyl-2-hydroxy-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetamide is O=C(NC1[C@H]2COC[C@@H]12)C(O)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-hydroxy-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetamide?
The InChIKey is AKJVSAQYVOOXRO-BQKDNTBBSA-N. The full InChI is InChI=1S/C11H17NO3/c13-10(6-2-1-3-6)11(14)12-9-7-4-15-5-8(7)9/h6-10,13H,1-5H2,(H,12,14)/t7-,8+,9?,10?.
What are the key properties of 2-cyclobutyl-2-hydroxy-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetamide?
2-cyclobutyl-2-hydroxy-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetamide has a molecular weight of 211.26 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-hydroxy-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetamide is sourced from PubChem (CID 128580043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).