6-(2-methoxy-2-phenylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C17H21NO4 — CID 119174526

IUPAC6-(2-methoxy-2-phenylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCOC(C(=O)N1CCC2(CC1)CC2C(=O)O)c1ccccc1
InChIInChI=1S/C17H21NO4/c1-22-14(12-5-3-2-4-6-12)15(19)18-9-7-17(8-10-18)11-13(17)16(20)21/h2-6,13-14H,7-11H2,1H3,(H,20,21)
InChIKeyMCRSXQQDGXOQHP-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.09
Rot. Bonds4

About 6-(2-methoxy-2-phenylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(2-methoxy-2-phenylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119174526) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 6-(2-methoxy-2-phenylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-methoxy-2-phenylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119174526
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name6-(2-methoxy-2-phenylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCOC(C(=O)N1CCC2(CC1)CC2C(=O)O)c1ccccc1
InChIInChI=1S/C17H21NO4/c1-22-14(12-5-3-2-4-6-12)15(19)18-9-7-17(8-10-18)11-13(17)16(20)21/h2-6,13-14H,7-11H2,1H3,(H,20,21)
InChIKeyMCRSXQQDGXOQHP-UHFFFAOYSA-N
XLogP2.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175638
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 79030711
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone
CID 95577530
2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone
CID 90653649
N-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide
CID 94872067
6-[2-(3,4-dichlorophenyl)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175536
N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234927
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
CID 119413072

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-2-phenylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(2-methoxy-2-phenylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119174526) is 6-(2-methoxy-2-phenylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(2-methoxy-2-phenylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(2-methoxy-2-phenylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid is COC(C(=O)N1CCC2(CC1)CC2C(=O)O)c1ccccc1.
What is the InChIKey of 6-(2-methoxy-2-phenylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is MCRSXQQDGXOQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-22-14(12-5-3-2-4-6-12)15(19)18-9-7-17(8-10-18)11-13(17)16(20)21/h2-6,13-14H,7-11H2,1H3,(H,20,21).
What are the key properties of 6-(2-methoxy-2-phenylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(2-methoxy-2-phenylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-2-phenylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119174526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).