(3R)-8-methyl-4-(naphthalene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

C20H22N2O4 — CID 95658048

IUPAC(3R)-8-methyl-4-(naphthalene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H22N2O4/c1-21-10-8-20(9-11-21)22(17(13-26-20)19(24)25)18(23)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,17H,8-11,13H2,1H3,(H,24,25)/t17-/m1/s1
InChIKeyGMHKQWTZHTYNJV-QGZVFWFLSA-N
MW354.41 g/mol
LogP2.19
Rot. Bonds2

About (3R)-8-methyl-4-(naphthalene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-8-methyl-4-(naphthalene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95658048) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (3R)-8-methyl-4-(naphthalene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-8-methyl-4-(naphthalene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID95658048
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(3R)-8-methyl-4-(naphthalene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H22N2O4/c1-21-10-8-20(9-11-21)22(17(13-26-20)19(24)25)18(23)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,17H,8-11,13H2,1H3,(H,24,25)/t17-/m1/s1
InChIKeyGMHKQWTZHTYNJV-QGZVFWFLSA-N
XLogP2.19
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-8-methyl-4-(naphthalene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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Related Compounds

(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658061
(3R)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658062
(3S)-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658043
4-(3-bromobenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 75360357
(4R)-2,2-dimethyl-3-(naphthalene-2-carbonyl)-1,3-oxazolidine-4-carboxylic acid
CID 53473884
4-(3,5-difluorobenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 75360373
(3R)-4-(3,5-difluorobenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658098
4-(furan-2-carbonyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 75360343
4-(2-ethoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 75360381
(3S)-4-benzoyl-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657837
(3S)-8-benzyl-4-(3,4-difluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658695
(3S)-4-(4-phenylbenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657753

Frequently Asked Questions

What is the IUPAC name of (3R)-8-methyl-4-(naphthalene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R)-8-methyl-4-(naphthalene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95658048) is (3R)-8-methyl-4-(naphthalene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R)-8-methyl-4-(naphthalene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R)-8-methyl-4-(naphthalene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid is CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (3R)-8-methyl-4-(naphthalene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is GMHKQWTZHTYNJV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-21-10-8-20(9-11-21)22(17(13-26-20)19(24)25)18(23)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,17H,8-11,13H2,1H3,(H,24,25)/t17-/m1/s1.
What are the key properties of (3R)-8-methyl-4-(naphthalene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3R)-8-methyl-4-(naphthalene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 354.41 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-methyl-4-(naphthalene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95658048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).