tert-butyl 7-[(2-amino-3-pyridinyl)oxy]-5-azaspiro[2.4]heptane-5-carboxylate

C16H23N3O3 — CID 118868276

IUPACtert-butyl 7-[(2-amino-3-pyridinyl)oxy]-5-azaspiro[2.4]heptane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2cccnc2N)C2(CC2)C1
InChIInChI=1S/C16H23N3O3/c1-15(2,3)22-14(20)19-9-12(16(10-19)6-7-16)21-11-5-4-8-18-13(11)17/h4-5,8,12H,6-7,9-10H2,1-3H3,(H2,17,18)
InChIKeyHBRORZHLVPIPPS-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.44
Rot. Bonds2

About tert-butyl 7-[(2-amino-3-pyridinyl)oxy]-5-azaspiro[2.4]heptane-5-carboxylate

tert-butyl 7-[(2-amino-3-pyridinyl)oxy]-5-azaspiro[2.4]heptane-5-carboxylate (PubChem CID 118868276) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is tert-butyl 7-[(2-amino-3-pyridinyl)oxy]-5-azaspiro[2.4]heptane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[(2-amino-3-pyridinyl)oxy]-5-azaspiro[2.4]heptane-5-carboxylate
PubChem CID118868276
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nametert-butyl 7-[(2-amino-3-pyridinyl)oxy]-5-azaspiro[2.4]heptane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2cccnc2N)C2(CC2)C1
InChIInChI=1S/C16H23N3O3/c1-15(2,3)22-14(20)19-9-12(16(10-19)6-7-16)21-11-5-4-8-18-13(11)17/h4-5,8,12H,6-7,9-10H2,1-3H3,(H2,17,18)
InChIKeyHBRORZHLVPIPPS-UHFFFAOYSA-N
XLogP2.44
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 7-[(2-amino-3-pyridinyl)oxy]-5-azaspiro[2.4]heptane-5-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[(2-amino-5-carbamoyl-3-pyridinyl)oxy]-3,3-dimethylpyrrolidine-1-carboxylate
CID 122439079
methyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate
CID 118868316
tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 71700032
tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
CID 70571171
tert-butyl 7-[[2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanoyl]amino]-5-azaspiro[2.4]heptane-5-carboxylate
CID 146401922
tert-butyl 8-[N-ethenyl-C-[3-[(2-methyl-3-pyridinyl)oxy]but-2-en-2-yl]carbonimidoyl]oxy-5-azaspiro[2.5]octane-5-carboxylate
CID 91260234
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate
CID 134129326
tert-butyl (3S)-3-[2-(2-amino-3-pyridinyl)ethynyl]piperidine-1-carboxylate
CID 67536639
tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
tert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate
CID 58547347
tert-butyl 4-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 82380941
tert-butyl 4-[2-(2-amino-3-pyridinyl)ethylamino]piperidine-1-carboxylate
CID 68535771

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[(2-amino-3-pyridinyl)oxy]-5-azaspiro[2.4]heptane-5-carboxylate?
The IUPAC name of tert-butyl 7-[(2-amino-3-pyridinyl)oxy]-5-azaspiro[2.4]heptane-5-carboxylate (CID 118868276) is tert-butyl 7-[(2-amino-3-pyridinyl)oxy]-5-azaspiro[2.4]heptane-5-carboxylate.
What is the SMILES notation for tert-butyl 7-[(2-amino-3-pyridinyl)oxy]-5-azaspiro[2.4]heptane-5-carboxylate?
The canonical SMILES for tert-butyl 7-[(2-amino-3-pyridinyl)oxy]-5-azaspiro[2.4]heptane-5-carboxylate is CC(C)(C)OC(=O)N1CC(Oc2cccnc2N)C2(CC2)C1.
What is the InChIKey of tert-butyl 7-[(2-amino-3-pyridinyl)oxy]-5-azaspiro[2.4]heptane-5-carboxylate?
The InChIKey is HBRORZHLVPIPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-15(2,3)22-14(20)19-9-12(16(10-19)6-7-16)21-11-5-4-8-18-13(11)17/h4-5,8,12H,6-7,9-10H2,1-3H3,(H2,17,18).
What are the key properties of tert-butyl 7-[(2-amino-3-pyridinyl)oxy]-5-azaspiro[2.4]heptane-5-carboxylate?
tert-butyl 7-[(2-amino-3-pyridinyl)oxy]-5-azaspiro[2.4]heptane-5-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[(2-amino-3-pyridinyl)oxy]-5-azaspiro[2.4]heptane-5-carboxylate is sourced from PubChem (CID 118868276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).