8-[3-(2-methoxyphenyl)propanoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C19H24N2O5 — CID 72913545

IUPAC8-[3-(2-methoxyphenyl)propanoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCOc1ccccc1CCC(=O)N1CCC2(CC1)NC(=O)CC2C(=O)O
InChIInChI=1S/C19H24N2O5/c1-26-15-5-3-2-4-13(15)6-7-17(23)21-10-8-19(9-11-21)14(18(24)25)12-16(22)20-19/h2-5,14H,6-12H2,1H3,(H,20,22)(H,24,25)
InChIKeyNXETWDIDTXTGKJ-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.21
Rot. Bonds5

About 8-[3-(2-methoxyphenyl)propanoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[3-(2-methoxyphenyl)propanoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72913545) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 8-[3-(2-methoxyphenyl)propanoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[3-(2-methoxyphenyl)propanoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72913545
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name8-[3-(2-methoxyphenyl)propanoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCOc1ccccc1CCC(=O)N1CCC2(CC1)NC(=O)CC2C(=O)O
InChIInChI=1S/C19H24N2O5/c1-26-15-5-3-2-4-13(15)6-7-17(23)21-10-8-19(9-11-21)14(18(24)25)12-16(22)20-19/h2-5,14H,6-12H2,1H3,(H,20,22)(H,24,25)
InChIKeyNXETWDIDTXTGKJ-UHFFFAOYSA-N
XLogP1.21
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110755813
1-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 72901145
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119128135
(3R,4S)-3-hydroxy-1-[3-(2-methoxyphenyl)propanoyl]-4-propylpiperidine-4-carboxylic acid
CID 162630509
1-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 82090865
(2S)-4-[3-(2-methoxyphenyl)propanoyl]-1-methylpiperazine-2-carboxylic acid
CID 95194118
3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one
CID 110396740
(4S)-8-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97186659
8-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72932474
1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 112537622
(4S)-2-oxo-8-(2-phenylethylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97207799

Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-methoxyphenyl)propanoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[3-(2-methoxyphenyl)propanoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72913545) is 8-[3-(2-methoxyphenyl)propanoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[3-(2-methoxyphenyl)propanoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[3-(2-methoxyphenyl)propanoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is COc1ccccc1CCC(=O)N1CCC2(CC1)NC(=O)CC2C(=O)O.
What is the InChIKey of 8-[3-(2-methoxyphenyl)propanoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is NXETWDIDTXTGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-26-15-5-3-2-4-13(15)6-7-17(23)21-10-8-19(9-11-21)14(18(24)25)12-16(22)20-19/h2-5,14H,6-12H2,1H3,(H,20,22)(H,24,25).
What are the key properties of 8-[3-(2-methoxyphenyl)propanoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[3-(2-methoxyphenyl)propanoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-methoxyphenyl)propanoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72913545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).