2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]acetic acid

C15H18N2O4 — CID 138514500

IUPAC2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]acetic acid
SMILESCOc1ccc(N2CC3(CCCN3CC(=O)O)C2=O)cc1
InChIInChI=1S/C15H18N2O4/c1-21-12-5-3-11(4-6-12)17-10-15(14(17)20)7-2-8-16(15)9-13(18)19/h3-6H,2,7-10H2,1H3,(H,18,19)
InChIKeyZAYVNKNUMRQITM-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.96
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]acetic acid

2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]acetic acid (PubChem CID 138514500) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]acetic acid
PubChem CID138514500
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]acetic acid
SMILESCOc1ccc(N2CC3(CCCN3CC(=O)O)C2=O)cc1
InChIInChI=1S/C15H18N2O4/c1-21-12-5-3-11(4-6-12)17-10-15(14(17)20)7-2-8-16(15)9-13(18)19/h3-6H,2,7-10H2,1H3,(H,18,19)
InChIKeyZAYVNKNUMRQITM-UHFFFAOYSA-N
XLogP0.96
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-methoxy-2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]propanoate
CID 90330086
1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638072
2-(4-methoxyphenyl)-2,5-diazaspiro[3.4]octan-3-one;thiohypoiodous acid
CID 144678598
(3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one
CID 155071229
3-(dihydroxymethylidene)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 86326055
(3S)-1-(4-methoxyphenyl)-3-methyl-3-(4-phenylphenyl)pyrrolidin-2-one
CID 155071218
1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163319262
8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one
CID 52911976
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
[1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate
CID 130404562
4-hydroxy-1-(4-methoxyphenyl)azepane-4-carboxylic acid
CID 115055659
3-(4-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 115065280

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]acetic acid (CID 138514500) is 2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]acetic acid is COc1ccc(N2CC3(CCCN3CC(=O)O)C2=O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]acetic acid?
The InChIKey is ZAYVNKNUMRQITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-21-12-5-3-11(4-6-12)17-10-15(14(17)20)7-2-8-16(15)9-13(18)19/h3-6H,2,7-10H2,1H3,(H,18,19).
What are the key properties of 2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]acetic acid?
2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]acetic acid is sourced from PubChem (CID 138514500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).