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

C13H21NO3 — CID 178190775

IUPAC2-cyclopropyl-N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]acetamide
SMILESO=C(CC1CC1)N[C@H]1C[C@H](O)C12CCOCC2
InChIInChI=1S/C13H21NO3/c15-11-8-10(13(11)3-5-17-6-4-13)14-12(16)7-9-1-2-9/h9-11,15H,1-8H2,(H,14,16)/t10-,11-/m0/s1
InChIKeyWALGAPMLCJZSEO-QWRGUYRKSA-N
MW239.31 g/mol
LogP0.83
Rot. Bonds3

About 2-cyclopropyl-N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]acetamide

2-cyclopropyl-N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]acetamide (PubChem CID 178190775) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]acetamide
PubChem CID178190775
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-cyclopropyl-N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]acetamide
SMILESO=C(CC1CC1)N[C@H]1C[C@H](O)C12CCOCC2
InChIInChI=1S/C13H21NO3/c15-11-8-10(13(11)3-5-17-6-4-13)14-12(16)7-9-1-2-9/h9-11,15H,1-8H2,(H,14,16)/t10-,11-/m0/s1
InChIKeyWALGAPMLCJZSEO-QWRGUYRKSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-3-methylbutanamide
CID 165457001
2-(dimethylamino)-N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]acetamide
CID 178190778
N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]cyclobutanecarboxamide
CID 178190774
N-cyclopentyl-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide
CID 136585794
2-cyclopropyl-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 104630587
N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-5-methyl-1,3-oxazole-2-carboxamide
CID 154767484
2-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 112729642
N-(2-ethylphenyl)-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide
CID 136585800
2-(azetidin-3-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114629789
4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid
CID 103162101
sodium cis-(1S,2R)-2-[(3-hydroxy-7-oxaspiro[3.5]nonan-1-yl)carbamoyl]-1-phenylcyclopropane-1-carboxylate
CID 146106771
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(oxan-2-yl)acetamide
CID 114631203

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]acetamide (CID 178190775) is 2-cyclopropyl-N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]acetamide is O=C(CC1CC1)N[C@H]1C[C@H](O)C12CCOCC2.
What is the InChIKey of 2-cyclopropyl-N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]acetamide?
The InChIKey is WALGAPMLCJZSEO-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H21NO3/c15-11-8-10(13(11)3-5-17-6-4-13)14-12(16)7-9-1-2-9/h9-11,15H,1-8H2,(H,14,16)/t10-,11-/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]acetamide?
2-cyclopropyl-N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]acetamide has a molecular weight of 239.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]acetamide is sourced from PubChem (CID 178190775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).