tert-butyl (2R)-2-[methoxy(oxido)amino]-4-methyl-2,3-dihydropyrrole-1-carboxylate

C11H19N2O4- — CID 163464234

IUPACtert-butyl (2R)-2-[methoxy(oxido)amino]-4-methyl-2,3-dihydropyrrole-1-carboxylate
SMILESCON([O-])[C@@H]1CC(C)=CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19N2O4/c1-8-6-9(13(15)16-5)12(7-8)10(14)17-11(2,3)4/h7,9H,6H2,1-5H3/q-1/t9-/m1/s1
InChIKeyYZACWOMIPXCZIV-SECBINFHSA-N
MW243.28 g/mol
LogP2.22
Rot. Bonds2

About tert-butyl (2R)-2-[methoxy(oxido)amino]-4-methyl-2,3-dihydropyrrole-1-carboxylate

tert-butyl (2R)-2-[methoxy(oxido)amino]-4-methyl-2,3-dihydropyrrole-1-carboxylate (PubChem CID 163464234) has the molecular formula C11H19N2O4- and a molecular weight of 243.28 g/mol. Its IUPAC name is tert-butyl (2R)-2-[methoxy(oxido)amino]-4-methyl-2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[methoxy(oxido)amino]-4-methyl-2,3-dihydropyrrole-1-carboxylate
PubChem CID163464234
Molecular FormulaC11H19N2O4-
Molecular Weight243.28 g/mol
Exact Mass243.14
IUPAC Nametert-butyl (2R)-2-[methoxy(oxido)amino]-4-methyl-2,3-dihydropyrrole-1-carboxylate
SMILESCON([O-])[C@@H]1CC(C)=CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19N2O4/c1-8-6-9(13(15)16-5)12(7-8)10(14)17-11(2,3)4/h7,9H,6H2,1-5H3/q-1/t9-/m1/s1
InChIKeyYZACWOMIPXCZIV-SECBINFHSA-N
XLogP2.22
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-methyl-2H-azete-1-carboxylate
CID 163575848
tert-butyl (2S)-2-amino-5-methyl-2H-pyrazine-1-carboxylate
CID 95567113
tert-butyl (2R)-5-iodo-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 130665668
tert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.1]hept-3-ene-2-carboxylate
CID 70661588
ditert-butyl 2,3-dihydropyrrole-1,2-dicarboxylate
CID 76804679
tert-butyl 2-acetyl-2,3-dihydropyrrole-1-carboxylate
CID 118329389
tert-butyl (2S)-2-acetyl-2,3-dihydropyrrole-1-carboxylate
CID 171048922
ditert-butyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate
CID 11173242
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
ditert-butyl (2S)-4-methyl-6-oxo-2,3-dihydropyridine-1,2-dicarboxylate
CID 135012871
tert-butyl 2-formyloxy-2,3-dihydropyrrole-1-carboxylate
CID 174840532
ditert-butyl (2S)-5-acetyloxy-3,4-dihydro-2H-pyridine-1,2-dicarboxylate
CID 139799398

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[methoxy(oxido)amino]-4-methyl-2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[methoxy(oxido)amino]-4-methyl-2,3-dihydropyrrole-1-carboxylate (CID 163464234) is tert-butyl (2R)-2-[methoxy(oxido)amino]-4-methyl-2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[methoxy(oxido)amino]-4-methyl-2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[methoxy(oxido)amino]-4-methyl-2,3-dihydropyrrole-1-carboxylate is CON([O-])[C@@H]1CC(C)=CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[methoxy(oxido)amino]-4-methyl-2,3-dihydropyrrole-1-carboxylate?
The InChIKey is YZACWOMIPXCZIV-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N2O4/c1-8-6-9(13(15)16-5)12(7-8)10(14)17-11(2,3)4/h7,9H,6H2,1-5H3/q-1/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[methoxy(oxido)amino]-4-methyl-2,3-dihydropyrrole-1-carboxylate?
tert-butyl (2R)-2-[methoxy(oxido)amino]-4-methyl-2,3-dihydropyrrole-1-carboxylate has a molecular weight of 243.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[methoxy(oxido)amino]-4-methyl-2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 163464234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).