8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H25N3O4 — CID 70749055

IUPAC8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC[C@@H](N)C(=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2
InChIInChI=1S/C18H25N3O4/c1-14(19)16(22)20-9-7-18(8-10-20)13-21(17(23)25-18)11-12-24-15-5-3-2-4-6-15/h2-6,14H,7-13,19H2,1H3/t14-/m1/s1
InChIKeyNCHQMLXRMNSTJA-CQSZACIVSA-N
MW347.41 g/mol
LogP1.23
Rot. Bonds5

About 8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70749055) has the molecular formula C18H25N3O4 and a molecular weight of 347.41 g/mol. Its IUPAC name is 8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70749055
Molecular FormulaC18H25N3O4
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC[C@@H](N)C(=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2
InChIInChI=1S/C18H25N3O4/c1-14(19)16(22)20-9-7-18(8-10-20)13-21(17(23)25-18)11-12-24-15-5-3-2-4-6-15/h2-6,14H,7-13,19H2,1H3/t14-/m1/s1
InChIKeyNCHQMLXRMNSTJA-CQSZACIVSA-N
XLogP1.23
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propanamide
CID 70707899
[2-oxo-2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]ethyl]urea
CID 70772627
8-[2-methyl-3-(1,2,4-triazol-1-yl)propanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70779117
8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70774740
8-(3-methylsulfanylpropanoyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70779840
8-[(1R,3S)-3-aminocyclopentanecarbonyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 133130859
8-[(2R)-2-aminopropanoyl]-3-[2-[methyl(2-phenylethyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
CID 154897217
8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729921
8-(5-methylpyridine-3-carbonyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70736346
8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70762711
8-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70723870
(5R)-3-methyl-7-(3-phenoxypropanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95722803

Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70749055) is 8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C[C@@H](N)C(=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2.
What is the InChIKey of 8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is NCHQMLXRMNSTJA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-14(19)16(22)20-9-7-18(8-10-20)13-21(17(23)25-18)11-12-24-15-5-3-2-4-6-15/h2-6,14H,7-13,19H2,1H3/t14-/m1/s1.
What are the key properties of 8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 347.41 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70749055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).