1-(2-methylbutan-2-yloxycarbonyl)-1-azaspiro[4.4]nonane-2-carboxylate

C15H24NO4- — CID 170530090

IUPAC1-(2-methylbutan-2-yloxycarbonyl)-1-azaspiro[4.4]nonane-2-carboxylate
SMILESCCC(C)(C)OC(=O)N1C(C(=O)[O-])CCC12CCCC2
InChIInChI=1S/C15H25NO4/c1-4-14(2,3)20-13(19)16-11(12(17)18)7-10-15(16)8-5-6-9-15/h11H,4-10H2,1-3H3,(H,17,18)/p-1
InChIKeyXQDQRLGGWFYENZ-UHFFFAOYSA-M
MW282.36 g/mol
LogP1.84
Rot. Bonds3

About 1-(2-methylbutan-2-yloxycarbonyl)-1-azaspiro[4.4]nonane-2-carboxylate

1-(2-methylbutan-2-yloxycarbonyl)-1-azaspiro[4.4]nonane-2-carboxylate (PubChem CID 170530090) has the molecular formula C15H24NO4- and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yloxycarbonyl)-1-azaspiro[4.4]nonane-2-carboxylate.

Molecular Properties

Compound Name1-(2-methylbutan-2-yloxycarbonyl)-1-azaspiro[4.4]nonane-2-carboxylate
PubChem CID170530090
Molecular FormulaC15H24NO4-
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name1-(2-methylbutan-2-yloxycarbonyl)-1-azaspiro[4.4]nonane-2-carboxylate
SMILESCCC(C)(C)OC(=O)N1C(C(=O)[O-])CCC12CCCC2
InChIInChI=1S/C15H25NO4/c1-4-14(2,3)20-13(19)16-11(12(17)18)7-10-15(16)8-5-6-9-15/h11H,4-10H2,1-3H3,(H,17,18)/p-1
InChIKeyXQDQRLGGWFYENZ-UHFFFAOYSA-M
XLogP1.84
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-6-carboxylic acid
CID 146082478
tert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate
CID 155820435
2-(2-methylbutan-2-yloxycarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 170520377
tert-butyl (5S)-5-(hydroxymethyl)-4-azaspiro[2.5]octane-4-carboxylate
CID 162341768
2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate
CID 89451370
1-(2-methylbutan-2-yloxycarbonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 170530057
2-methylbutan-2-yl 4-(2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 135170247
tert-butyl (3R)-3-formyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
CID 11108395
2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate
CID 169083447
methyl 1-acetyl-1-azaspiro[5.5]undecane-2-carboxylate
CID 134859614
4-O-tert-butyl 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate
CID 11109342
2-methylbutan-2-yl 3-tert-butyl-3-(2,2-dimethylbutanoyloxy)pyrrolidine-1-carboxylate
CID 161302334

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yloxycarbonyl)-1-azaspiro[4.4]nonane-2-carboxylate?
The IUPAC name of 1-(2-methylbutan-2-yloxycarbonyl)-1-azaspiro[4.4]nonane-2-carboxylate (CID 170530090) is 1-(2-methylbutan-2-yloxycarbonyl)-1-azaspiro[4.4]nonane-2-carboxylate.
What is the SMILES notation for 1-(2-methylbutan-2-yloxycarbonyl)-1-azaspiro[4.4]nonane-2-carboxylate?
The canonical SMILES for 1-(2-methylbutan-2-yloxycarbonyl)-1-azaspiro[4.4]nonane-2-carboxylate is CCC(C)(C)OC(=O)N1C(C(=O)[O-])CCC12CCCC2.
What is the InChIKey of 1-(2-methylbutan-2-yloxycarbonyl)-1-azaspiro[4.4]nonane-2-carboxylate?
The InChIKey is XQDQRLGGWFYENZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H25NO4/c1-4-14(2,3)20-13(19)16-11(12(17)18)7-10-15(16)8-5-6-9-15/h11H,4-10H2,1-3H3,(H,17,18)/p-1.
What are the key properties of 1-(2-methylbutan-2-yloxycarbonyl)-1-azaspiro[4.4]nonane-2-carboxylate?
1-(2-methylbutan-2-yloxycarbonyl)-1-azaspiro[4.4]nonane-2-carboxylate has a molecular weight of 282.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yloxycarbonyl)-1-azaspiro[4.4]nonane-2-carboxylate is sourced from PubChem (CID 170530090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).