tert-butyl (2R)-2-[(2-methoxy-2-oxo-1-pyridin-3-ylethyl)carbamoyl]azetidine-1-carboxylate

C17H23N3O5 — CID 126811309

IUPACtert-butyl (2R)-2-[(2-methoxy-2-oxo-1-pyridin-3-ylethyl)carbamoyl]azetidine-1-carboxylate
SMILESCOC(=O)C(NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)c1cccnc1
InChIInChI=1S/C17H23N3O5/c1-17(2,3)25-16(23)20-9-7-12(20)14(21)19-13(15(22)24-4)11-6-5-8-18-10-11/h5-6,8,10,12-13H,7,9H2,1-4H3,(H,19,21)/t12-,13?/m1/s1
InChIKeyHNNYEXHCSQIVKE-PZORYLMUSA-N
MW349.39 g/mol
LogP1.42
Rot. Bonds4

About tert-butyl (2R)-2-[(2-methoxy-2-oxo-1-pyridin-3-ylethyl)carbamoyl]azetidine-1-carboxylate

tert-butyl (2R)-2-[(2-methoxy-2-oxo-1-pyridin-3-ylethyl)carbamoyl]azetidine-1-carboxylate (PubChem CID 126811309) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2-methoxy-2-oxo-1-pyridin-3-ylethyl)carbamoyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2-methoxy-2-oxo-1-pyridin-3-ylethyl)carbamoyl]azetidine-1-carboxylate
PubChem CID126811309
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Nametert-butyl (2R)-2-[(2-methoxy-2-oxo-1-pyridin-3-ylethyl)carbamoyl]azetidine-1-carboxylate
SMILESCOC(=O)C(NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)c1cccnc1
InChIInChI=1S/C17H23N3O5/c1-17(2,3)25-16(23)20-9-7-12(20)14(21)19-13(15(22)24-4)11-6-5-8-18-10-11/h5-6,8,10,12-13H,7,9H2,1-4H3,(H,19,21)/t12-,13?/m1/s1
InChIKeyHNNYEXHCSQIVKE-PZORYLMUSA-N
XLogP1.42
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R)-2-[(2-methoxy-2-oxo-1-pyridin-3-ylethyl)carbamoyl]azetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (1R,2S,5S)-2-[(2-methoxy-2-oxo-1-pyridin-3-ylethyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 175899147
tert-butyl (2R)-2-[[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]carbamoyl]azetidine-1-carboxylate
CID 122152765
tert-butyl (2S)-2-[[(1S)-1-(4-fluorophenyl)-2-oxo-2-(pyridin-3-ylmethylamino)ethyl]carbamoyl]piperidine-1-carboxylate
CID 169192376
methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276
tert-butyl 2-(1,7-dipyridin-3-ylheptan-4-ylcarbamoyl)piperidine-1-carboxylate
CID 91569312
tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate
CID 95179847
methyl 2-[[(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-pyridin-3-ylacetate
CID 167521642
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-ylacetate
CID 26601141
methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate
CID 97260167
tert-butyl 4-[[(1S)-1-pyridin-3-ylethyl]amino]azepane-1-carboxylate
CID 103982627
tert-butyl 2-[[(1S)-2-oxo-1-phenyl-2-(tritylamino)ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 132600130
tert-butyl 2-[(4-tert-butylphenyl)-(2-oxo-1-pyridin-3-ylethyl)carbamoyl]azetidine-1-carboxylate;N-methylcyclohexanamine
CID 156894678

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2-methoxy-2-oxo-1-pyridin-3-ylethyl)carbamoyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(2-methoxy-2-oxo-1-pyridin-3-ylethyl)carbamoyl]azetidine-1-carboxylate (CID 126811309) is tert-butyl (2R)-2-[(2-methoxy-2-oxo-1-pyridin-3-ylethyl)carbamoyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(2-methoxy-2-oxo-1-pyridin-3-ylethyl)carbamoyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(2-methoxy-2-oxo-1-pyridin-3-ylethyl)carbamoyl]azetidine-1-carboxylate is COC(=O)C(NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)c1cccnc1.
What is the InChIKey of tert-butyl (2R)-2-[(2-methoxy-2-oxo-1-pyridin-3-ylethyl)carbamoyl]azetidine-1-carboxylate?
The InChIKey is HNNYEXHCSQIVKE-PZORYLMUSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-17(2,3)25-16(23)20-9-7-12(20)14(21)19-13(15(22)24-4)11-6-5-8-18-10-11/h5-6,8,10,12-13H,7,9H2,1-4H3,(H,19,21)/t12-,13?/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2-methoxy-2-oxo-1-pyridin-3-ylethyl)carbamoyl]azetidine-1-carboxylate?
tert-butyl (2R)-2-[(2-methoxy-2-oxo-1-pyridin-3-ylethyl)carbamoyl]azetidine-1-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2-methoxy-2-oxo-1-pyridin-3-ylethyl)carbamoyl]azetidine-1-carboxylate is sourced from PubChem (CID 126811309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).