tert-butyl (3R)-5-(5-amino-2-methoxycarbonyl-4-pyridinyl)-3-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate

C17H23N3O5 — CID 177206664

IUPACtert-butyl (3R)-5-(5-amino-2-methoxycarbonyl-4-pyridinyl)-3-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate
SMILESCOC(=O)c1cc(C2=COC[C@@H](C)N2C(=O)OC(C)(C)C)c(N)cn1
InChIInChI=1S/C17H23N3O5/c1-10-8-24-9-14(20(10)16(22)25-17(2,3)4)11-6-13(15(21)23-5)19-7-12(11)18/h6-7,9-10H,8,18H2,1-5H3/t10-/m1/s1
InChIKeyZHSSGGIUFNSZPJ-SNVBAGLBSA-N
MW349.39 g/mol
LogP2.40
Rot. Bonds2

About tert-butyl (3R)-5-(5-amino-2-methoxycarbonyl-4-pyridinyl)-3-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate

tert-butyl (3R)-5-(5-amino-2-methoxycarbonyl-4-pyridinyl)-3-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate (PubChem CID 177206664) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is tert-butyl (3R)-5-(5-amino-2-methoxycarbonyl-4-pyridinyl)-3-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-5-(5-amino-2-methoxycarbonyl-4-pyridinyl)-3-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate
PubChem CID177206664
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Nametert-butyl (3R)-5-(5-amino-2-methoxycarbonyl-4-pyridinyl)-3-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate
SMILESCOC(=O)c1cc(C2=COC[C@@H](C)N2C(=O)OC(C)(C)C)c(N)cn1
InChIInChI=1S/C17H23N3O5/c1-10-8-24-9-14(20(10)16(22)25-17(2,3)4)11-6-13(15(21)23-5)19-7-12(11)18/h6-7,9-10H,8,18H2,1-5H3/t10-/m1/s1
InChIKeyZHSSGGIUFNSZPJ-SNVBAGLBSA-N
XLogP2.40
TPSA103.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl (3R)-5-(5-amino-2-methoxycarbonyl-4-pyridinyl)-3-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate
CID 177204743
methyl 5-amino-4-(oxetan-2-ylmethylamino)pyridine-2-carboxylate
CID 163570552
tert-butyl 4-(2-amino-1,3-thiazol-5-yl)-2,6-dimethylpiperazine-1-carboxylate
CID 170553810
methyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate
CID 118868316
methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 168758594
methyl 5-amino-4-[(2R,5S)-5-(difluoromethyl)pyrrolidin-2-yl]pyridine-2-carboxylate
CID 177207102
methyl 5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]pyridine-2-carboxylate
CID 166021842
methyl 4-[(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-2-carboxylate
CID 164602078
tert-butyl (2S,6R)-4-(6-amino-3-pyridinyl)-2,6-dimethylpiperazine-1-carboxylate
CID 168895169
tert-butyl 4-(2-chloro-6-methoxycarbonyl-4-pyridinyl)piperazine-1-carboxylate
CID 178116339
methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate
CID 67218078
tert-butyl 4-[(5-amino-2-chloro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 163220289

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-5-(5-amino-2-methoxycarbonyl-4-pyridinyl)-3-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate?
The IUPAC name of tert-butyl (3R)-5-(5-amino-2-methoxycarbonyl-4-pyridinyl)-3-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate (CID 177206664) is tert-butyl (3R)-5-(5-amino-2-methoxycarbonyl-4-pyridinyl)-3-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate.
What is the SMILES notation for tert-butyl (3R)-5-(5-amino-2-methoxycarbonyl-4-pyridinyl)-3-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate?
The canonical SMILES for tert-butyl (3R)-5-(5-amino-2-methoxycarbonyl-4-pyridinyl)-3-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate is COC(=O)c1cc(C2=COC[C@@H](C)N2C(=O)OC(C)(C)C)c(N)cn1.
What is the InChIKey of tert-butyl (3R)-5-(5-amino-2-methoxycarbonyl-4-pyridinyl)-3-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate?
The InChIKey is ZHSSGGIUFNSZPJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-10-8-24-9-14(20(10)16(22)25-17(2,3)4)11-6-13(15(21)23-5)19-7-12(11)18/h6-7,9-10H,8,18H2,1-5H3/t10-/m1/s1.
What are the key properties of tert-butyl (3R)-5-(5-amino-2-methoxycarbonyl-4-pyridinyl)-3-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate?
tert-butyl (3R)-5-(5-amino-2-methoxycarbonyl-4-pyridinyl)-3-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-5-(5-amino-2-methoxycarbonyl-4-pyridinyl)-3-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate is sourced from PubChem (CID 177206664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).