8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C17H23N3O3 — CID 70762711

IUPAC8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)[C@@H](N)c3ccccc3)CC2)OC1=O
InChIInChI=1S/C17H23N3O3/c1-2-19-12-17(23-16(19)22)8-10-20(11-9-17)15(21)14(18)13-6-4-3-5-7-13/h3-7,14H,2,8-12,18H2,1H3/t14-/m0/s1
InChIKeyHPLCUSLJOCVAOY-AWEZNQCLSA-N
MW317.39 g/mol
LogP1.52
Rot. Bonds3

About 8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70762711) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70762711
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)[C@@H](N)c3ccccc3)CC2)OC1=O
InChIInChI=1S/C17H23N3O3/c1-2-19-12-17(23-16(19)22)8-10-20(11-9-17)15(21)14(18)13-6-4-3-5-7-13/h3-7,14H,2,8-12,18H2,1H3/t14-/m0/s1
InChIKeyHPLCUSLJOCVAOY-AWEZNQCLSA-N
XLogP1.52
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone
CID 63160272
3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70718560
8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70749055
(2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone
CID 81102948
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
(5R)-3-benzyl-7-(2,2-diphenylacetyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125003734
8-[(2R)-2-aminopropanoyl]-3-[2-[methyl(2-phenylethyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
CID 154897217
4-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzonitrile
CID 22975687
8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 20622662
3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70714965
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
2-[2-oxo-8-(2-pyrrol-1-ylpentanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 70758248

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70762711) is 8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CC2(CCN(C(=O)[C@@H](N)c3ccccc3)CC2)OC1=O.
What is the InChIKey of 8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HPLCUSLJOCVAOY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-2-19-12-17(23-16(19)22)8-10-20(11-9-17)15(21)14(18)13-6-4-3-5-7-13/h3-7,14H,2,8-12,18H2,1H3/t14-/m0/s1.
What are the key properties of 8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70762711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).