6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate

C14H22NO4- — CID 91927722

IUPAC6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CC(C(=O)[O-])C2)C1
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-6-4-5-14(9-15)7-10(8-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17)/p-1
InChIKeyRSPVHRACIRZAAF-UHFFFAOYSA-M
MW268.33 g/mol
LogP1.16
Rot. Bonds1

About 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate

6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate (PubChem CID 91927722) has the molecular formula C14H22NO4- and a molecular weight of 268.33 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate
PubChem CID91927722
Molecular FormulaC14H22NO4-
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CC(C(=O)[O-])C2)C1
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-6-4-5-14(9-15)7-10(8-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17)/p-1
InChIKeyRSPVHRACIRZAAF-UHFFFAOYSA-M
XLogP1.16
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-2-carboxylate
CID 134129306
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylate
CID 71773048
tert-butyl 2-methylsulfonyloxy-6-azaspiro[3.5]nonane-6-carboxylate
CID 86730910
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
CID 144719040
tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
CID 56962195
tert-butyl 3,3-difluoroazepane-1-carboxylate
CID 67979523
tert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate
CID 167430090
6-O-tert-butyl 2-O-methyl 2-fluoro-6-azaspiro[3.5]nonane-2,6-dicarboxylate
CID 177329745
tert-butyl (7R,8R)-7-amino-8-fluoro-2-azaspiro[4.4]nonane-2-carboxylate
CID 135742686
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 26601059
tert-butyl 7,9-dimethyl-8-oxo-2-azaspiro[4.5]decane-2-carboxylate
CID 134201957
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate (CID 91927722) is 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate is CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)[O-])C2)C1.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate?
The InChIKey is RSPVHRACIRZAAF-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-6-4-5-14(9-15)7-10(8-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17)/p-1.
What are the key properties of 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate?
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate has a molecular weight of 268.33 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 91927722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).