9-[(2S)-2-phenylmethoxypropanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-one

C19H25NO4 — CID 166260053

IUPAC9-[(2S)-2-phenylmethoxypropanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-one
SMILESC[C@H](OCc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)CCO2
InChIInChI=1S/C19H25NO4/c1-15(23-14-16-5-3-2-4-6-16)18(22)20-10-8-19(9-11-20)13-17(21)7-12-24-19/h2-6,15H,7-14H2,1H3/t15-/m0/s1
InChIKeyFPANYQSZNNJJEM-HNNXBMFYSA-N
MW331.41 g/mol
LogP2.33
Rot. Bonds4

About 9-[(2S)-2-phenylmethoxypropanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-one

9-[(2S)-2-phenylmethoxypropanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-one (PubChem CID 166260053) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 9-[(2S)-2-phenylmethoxypropanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name9-[(2S)-2-phenylmethoxypropanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-one
PubChem CID166260053
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name9-[(2S)-2-phenylmethoxypropanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-one
SMILESC[C@H](OCc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)CCO2
InChIInChI=1S/C19H25NO4/c1-15(23-14-16-5-3-2-4-6-16)18(22)20-10-8-19(9-11-20)13-17(21)7-12-24-19/h2-6,15H,7-14H2,1H3/t15-/m0/s1
InChIKeyFPANYQSZNNJJEM-HNNXBMFYSA-N
XLogP2.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158
2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
CID 14373623
1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one
CID 43428067
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one
CID 43427969
1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one
CID 81208321
2-[(2R)-2-phenylmethoxypropanoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 138054817
(2S,3R)-2-amino-1-(4,4-difluoropiperidin-1-yl)-3-phenylmethoxybutan-1-one
CID 164604922
1-[(2S)-2-but-3-enoxypropanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 97233581
2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97268865
[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate
CID 55526251
1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile
CID 126445072
2-[1-(2-phenylmethoxypropanoyl)pyrrolidin-2-yl]acetic acid
CID 61372049

Frequently Asked Questions

What is the IUPAC name of 9-[(2S)-2-phenylmethoxypropanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-one?
The IUPAC name of 9-[(2S)-2-phenylmethoxypropanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-one (CID 166260053) is 9-[(2S)-2-phenylmethoxypropanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-one.
What is the SMILES notation for 9-[(2S)-2-phenylmethoxypropanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-one?
The canonical SMILES for 9-[(2S)-2-phenylmethoxypropanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-one is C[C@H](OCc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)CCO2.
What is the InChIKey of 9-[(2S)-2-phenylmethoxypropanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-one?
The InChIKey is FPANYQSZNNJJEM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-15(23-14-16-5-3-2-4-6-16)18(22)20-10-8-19(9-11-20)13-17(21)7-12-24-19/h2-6,15H,7-14H2,1H3/t15-/m0/s1.
What are the key properties of 9-[(2S)-2-phenylmethoxypropanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-one?
9-[(2S)-2-phenylmethoxypropanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-one has a molecular weight of 331.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2S)-2-phenylmethoxypropanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-one is sourced from PubChem (CID 166260053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).