(5S)-1-oxo-2-(4-triethylsilyloxycyclohexyl)-2,9-diazaspiro[4.5]decane-9-carboxylic acid

C21H38N2O4Si — CID 68747143

IUPAC(5S)-1-oxo-2-(4-triethylsilyloxycyclohexyl)-2,9-diazaspiro[4.5]decane-9-carboxylic acid
SMILESCC[Si](CC)(CC)OC1CCC(N2CC[C@]3(CCCN(C(=O)O)C3)C2=O)CC1
InChIInChI=1S/C21H38N2O4Si/c1-4-28(5-2,6-3)27-18-10-8-17(9-11-18)23-15-13-21(19(23)24)12-7-14-22(16-21)20(25)26/h17-18H,4-16H2,1-3H3,(H,25,26)/t17?,18?,21-/m0/s1
InChIKeyNRILNENTISOEDB-NGICGMGXSA-N
MW410.63 g/mol
LogP4.31
Rot. Bonds6

About (5S)-1-oxo-2-(4-triethylsilyloxycyclohexyl)-2,9-diazaspiro[4.5]decane-9-carboxylic acid

(5S)-1-oxo-2-(4-triethylsilyloxycyclohexyl)-2,9-diazaspiro[4.5]decane-9-carboxylic acid (PubChem CID 68747143) has the molecular formula C21H38N2O4Si and a molecular weight of 410.63 g/mol. Its IUPAC name is (5S)-1-oxo-2-(4-triethylsilyloxycyclohexyl)-2,9-diazaspiro[4.5]decane-9-carboxylic acid.

Molecular Properties

Compound Name(5S)-1-oxo-2-(4-triethylsilyloxycyclohexyl)-2,9-diazaspiro[4.5]decane-9-carboxylic acid
PubChem CID68747143
Molecular FormulaC21H38N2O4Si
Molecular Weight410.63 g/mol
Exact Mass410.26
IUPAC Name(5S)-1-oxo-2-(4-triethylsilyloxycyclohexyl)-2,9-diazaspiro[4.5]decane-9-carboxylic acid
SMILESCC[Si](CC)(CC)OC1CCC(N2CC[C@]3(CCCN(C(=O)O)C3)C2=O)CC1
InChIInChI=1S/C21H38N2O4Si/c1-4-28(5-2,6-3)27-18-10-8-17(9-11-18)23-15-13-21(19(23)24)12-7-14-22(16-21)20(25)26/h17-18H,4-16H2,1-3H3,(H,25,26)/t17?,18?,21-/m0/s1
InChIKeyNRILNENTISOEDB-NGICGMGXSA-N
XLogP4.31
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.63
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(5R)-9-(5-ethylpyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653471
2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 11689002
(5S)-7-cyclohexyl-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97124799
(5S)-7-cyclohexyl-2-(6-methoxyhexanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97135326
7-cyclohexyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72865312
[3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate
CID 142689608
(5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97139032
(5R)-2-(4-hydroxycyclohexyl)-9-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one
CID 58653605
7-cyclopentyl-2-[2-[2-methoxyethyl(methyl)amino]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72892281
2-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72870949
(5S)-2-[2-(2-methoxyethoxy)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97147920
[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl] N-ethylcarbamate
CID 91017405

Frequently Asked Questions

What is the IUPAC name of (5S)-1-oxo-2-(4-triethylsilyloxycyclohexyl)-2,9-diazaspiro[4.5]decane-9-carboxylic acid?
The IUPAC name of (5S)-1-oxo-2-(4-triethylsilyloxycyclohexyl)-2,9-diazaspiro[4.5]decane-9-carboxylic acid (CID 68747143) is (5S)-1-oxo-2-(4-triethylsilyloxycyclohexyl)-2,9-diazaspiro[4.5]decane-9-carboxylic acid.
What is the SMILES notation for (5S)-1-oxo-2-(4-triethylsilyloxycyclohexyl)-2,9-diazaspiro[4.5]decane-9-carboxylic acid?
The canonical SMILES for (5S)-1-oxo-2-(4-triethylsilyloxycyclohexyl)-2,9-diazaspiro[4.5]decane-9-carboxylic acid is CC[Si](CC)(CC)OC1CCC(N2CC[C@]3(CCCN(C(=O)O)C3)C2=O)CC1.
What is the InChIKey of (5S)-1-oxo-2-(4-triethylsilyloxycyclohexyl)-2,9-diazaspiro[4.5]decane-9-carboxylic acid?
The InChIKey is NRILNENTISOEDB-NGICGMGXSA-N. The full InChI is InChI=1S/C21H38N2O4Si/c1-4-28(5-2,6-3)27-18-10-8-17(9-11-18)23-15-13-21(19(23)24)12-7-14-22(16-21)20(25)26/h17-18H,4-16H2,1-3H3,(H,25,26)/t17?,18?,21-/m0/s1.
What are the key properties of (5S)-1-oxo-2-(4-triethylsilyloxycyclohexyl)-2,9-diazaspiro[4.5]decane-9-carboxylic acid?
(5S)-1-oxo-2-(4-triethylsilyloxycyclohexyl)-2,9-diazaspiro[4.5]decane-9-carboxylic acid has a molecular weight of 410.63 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-oxo-2-(4-triethylsilyloxycyclohexyl)-2,9-diazaspiro[4.5]decane-9-carboxylic acid is sourced from PubChem (CID 68747143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).