(4R)-8-[2-(3-methoxyphenoxy)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C19H26N2O5 — CID 97207248

IUPAC(4R)-8-[2-(3-methoxyphenoxy)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCOc1cccc(OCCN2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)c1
InChIInChI=1S/C19H26N2O5/c1-20-17(22)13-16(18(23)24)19(20)6-8-21(9-7-19)10-11-26-15-5-3-4-14(12-15)25-2/h3-5,12,16H,6-11,13H2,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyYYXSXWXYQXNHSR-INIZCTEOSA-N
MW362.43 g/mol
LogP1.47
Rot. Bonds6

About (4R)-8-[2-(3-methoxyphenoxy)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

(4R)-8-[2-(3-methoxyphenoxy)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 97207248) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is (4R)-8-[2-(3-methoxyphenoxy)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-8-[2-(3-methoxyphenoxy)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID97207248
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name(4R)-8-[2-(3-methoxyphenoxy)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCOc1cccc(OCCN2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)c1
InChIInChI=1S/C19H26N2O5/c1-20-17(22)13-16(18(23)24)19(20)6-8-21(9-7-19)10-11-26-15-5-3-4-14(12-15)25-2/h3-5,12,16H,6-11,13H2,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyYYXSXWXYQXNHSR-INIZCTEOSA-N
XLogP1.47
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-8-[2-(3-methoxyphenoxy)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid with MolForge

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Related Compounds

8-[(3-methoxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72885490
(4S)-8-(3-methoxybenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97197781
(4S)-8-[(2-carboxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97198034
cis-(1R,2S)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 24984707
(4R)-8-[(5-chloro-2-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97188485
2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70717871
(4R)-1-methyl-8-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97204698
8-(2,1,3-benzoxadiazol-4-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72872853
(4S)-1-methyl-8-[[3-(5-methylfuran-2-yl)phenyl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97192045
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095
(4R)-8-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97207663
(2R)-2-amino-1-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 120873129

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[2-(3-methoxyphenoxy)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of (4R)-8-[2-(3-methoxyphenoxy)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 97207248) is (4R)-8-[2-(3-methoxyphenoxy)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for (4R)-8-[2-(3-methoxyphenoxy)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for (4R)-8-[2-(3-methoxyphenoxy)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is COc1cccc(OCCN2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)c1.
What is the InChIKey of (4R)-8-[2-(3-methoxyphenoxy)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is YYXSXWXYQXNHSR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-20-17(22)13-16(18(23)24)19(20)6-8-21(9-7-19)10-11-26-15-5-3-4-14(12-15)25-2/h3-5,12,16H,6-11,13H2,1-2H3,(H,23,24)/t16-/m0/s1.
What are the key properties of (4R)-8-[2-(3-methoxyphenoxy)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
(4R)-8-[2-(3-methoxyphenoxy)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[2-(3-methoxyphenoxy)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 97207248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).