tert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate

C14H24N2O3 — CID 167430090

IUPACtert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCC(C(N)=O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-7-6-14(9-16)5-4-10(8-14)11(15)17/h10H,4-9H2,1-3H3,(H2,15,17)
InChIKeyCCVZXAURPSQTDW-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.90
Rot. Bonds1

About tert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate

tert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate (PubChem CID 167430090) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate
PubChem CID167430090
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCC(C(N)=O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-7-6-14(9-16)5-4-10(8-14)11(15)17/h10H,4-9H2,1-3H3,(H2,15,17)
InChIKeyCCVZXAURPSQTDW-UHFFFAOYSA-N
XLogP1.90
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 163302209
tert-butyl 8-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 71630735
tert-butyl (5R,7S,8R)-8-hydroxy-7-methyl-2-azaspiro[4.5]decane-2-carboxylate
CID 163396496
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-2-carboxylate
CID 134129306
tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
CID 56962195
tert-butyl 8-cyano-2-azaspiro[4.4]nonane-2-carboxylate
CID 127263616
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
CID 144719040
tert-butyl 7-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate
CID 82379496
tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 90426746
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylate
CID 71773048
tert-butyl (7R,8R)-7-amino-8-fluoro-2-azaspiro[4.4]nonane-2-carboxylate
CID 135742686
tert-butyl 7,9-dimethyl-8-oxo-2-azaspiro[4.5]decane-2-carboxylate
CID 134201957

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate?
The IUPAC name of tert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate (CID 167430090) is tert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCC(C(N)=O)C2)C1.
What is the InChIKey of tert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate?
The InChIKey is CCVZXAURPSQTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-7-6-14(9-16)5-4-10(8-14)11(15)17/h10H,4-9H2,1-3H3,(H2,15,17).
What are the key properties of tert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate?
tert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate is sourced from PubChem (CID 167430090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).