tert-butyl 2-[methoxy(methyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate

C15H26N2O4 — CID 121207545

IUPACtert-butyl 2-[methoxy(methyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate
SMILESCON(C)C(=O)C1CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H26N2O4/c1-14(2,3)21-13(19)17-8-6-15(7-9-17)10-11(15)12(18)16(4)20-5/h11H,6-10H2,1-5H3
InChIKeyXOXFTTVPXATDBR-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.04
Rot. Bonds2

About tert-butyl 2-[methoxy(methyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate

tert-butyl 2-[methoxy(methyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 121207545) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is tert-butyl 2-[methoxy(methyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[methoxy(methyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate
PubChem CID121207545
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nametert-butyl 2-[methoxy(methyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate
SMILESCON(C)C(=O)C1CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H26N2O4/c1-14(2,3)21-13(19)17-8-6-15(7-9-17)10-11(15)12(18)16(4)20-5/h11H,6-10H2,1-5H3
InChIKeyXOXFTTVPXATDBR-UHFFFAOYSA-N
XLogP2.04
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide
CID 130725563
tert-butyl 2-(bromomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 121207544
tert-butyl (4S)-4-amino-2,2-difluoro-8-azaspiro[4.5]decane-8-carboxylate
CID 155904836
tert-butyl 2-carbonochloridoyl-6-azaspiro[2.5]octane-6-carboxylate;1-chloro-N,N,2-trimethylprop-1-en-1-amine;6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 165013762
tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate
CID 150980287
tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride
CID 86280112
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
potassium trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octan-2-yl]boranuide
CID 146155743
tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane
CID 142129006
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4-amino-4-[formyl(methyl)amino]piperidine-1-carboxylate
CID 139387096

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[methoxy(methyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate?
The IUPAC name of tert-butyl 2-[methoxy(methyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate (CID 121207545) is tert-butyl 2-[methoxy(methyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate.
What is the SMILES notation for tert-butyl 2-[methoxy(methyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate?
The canonical SMILES for tert-butyl 2-[methoxy(methyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate is CON(C)C(=O)C1CC12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 2-[methoxy(methyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate?
The InChIKey is XOXFTTVPXATDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-14(2,3)21-13(19)17-8-6-15(7-9-17)10-11(15)12(18)16(4)20-5/h11H,6-10H2,1-5H3.
What are the key properties of tert-butyl 2-[methoxy(methyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate?
tert-butyl 2-[methoxy(methyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[methoxy(methyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 121207545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).