tert-butyl 2-[(1R)-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydropyrrole-1-carboxylate

C15H27NO4 — CID 163697911

IUPACtert-butyl 2-[(1R)-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydropyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CCC1[C@](C)(O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-13(2,3)19-12(17)16-10-8-9-11(16)15(7,18)20-14(4,5)6/h8,10-11,18H,9H2,1-7H3/t11?,15-/m1/s1
InChIKeyJYMFUQZGRFZLSY-JOPIAHFSSA-N
MW285.38 g/mol
LogP3.03
Rot. Bonds2

About tert-butyl 2-[(1R)-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydropyrrole-1-carboxylate

tert-butyl 2-[(1R)-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydropyrrole-1-carboxylate (PubChem CID 163697911) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl 2-[(1R)-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(1R)-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydropyrrole-1-carboxylate
PubChem CID163697911
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl 2-[(1R)-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydropyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CCC1[C@](C)(O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-13(2,3)19-12(17)16-10-8-9-11(16)15(7,18)20-14(4,5)6/h8,10-11,18H,9H2,1-7H3/t11?,15-/m1/s1
InChIKeyJYMFUQZGRFZLSY-JOPIAHFSSA-N
XLogP3.03
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1R)-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2-[(1R)-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydropyrrole-1-carboxylate (CID 163697911) is tert-butyl 2-[(1R)-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(1R)-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(1R)-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydropyrrole-1-carboxylate is CC(C)(C)OC(=O)N1C=CCC1[C@](C)(O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(1R)-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydropyrrole-1-carboxylate?
The InChIKey is JYMFUQZGRFZLSY-JOPIAHFSSA-N. The full InChI is InChI=1S/C15H27NO4/c1-13(2,3)19-12(17)16-10-8-9-11(16)15(7,18)20-14(4,5)6/h8,10-11,18H,9H2,1-7H3/t11?,15-/m1/s1.
What are the key properties of tert-butyl 2-[(1R)-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydropyrrole-1-carboxylate?
tert-butyl 2-[(1R)-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydropyrrole-1-carboxylate has a molecular weight of 285.38 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1R)-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 163697911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).