tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrole-1-carboxylate

C15H24N2O4 — CID 140967024

IUPACtert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)NCc1cccn1C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O4/c1-14(2,3)20-12(18)16-10-11-8-7-9-17(11)13(19)21-15(4,5)6/h7-9H,10H2,1-6H3,(H,16,18)
InChIKeyPFDYQOSZQJNEIV-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.30
Rot. Bonds2

About tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrole-1-carboxylate

tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrole-1-carboxylate (PubChem CID 140967024) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrole-1-carboxylate
PubChem CID140967024
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)NCc1cccn1C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O4/c1-14(2,3)20-12(18)16-10-11-8-7-9-17(11)13(19)21-15(4,5)6/h7-9H,10H2,1-6H3,(H,16,18)
InChIKeyPFDYQOSZQJNEIV-UHFFFAOYSA-N
XLogP3.30
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[[3-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenoxy]methyl]pyrrole-1-carboxylate
CID 90406196
tert-butyl 2-(1H-pyrrol-2-ylmethyl)pyrrole-1-carboxylate
CID 11288069
tert-butyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]sulfanylpyrrole-1-carboxylate
CID 10499010
methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 103713450
tert-butyl N-[(E)-4-[(1-methylpyrrol-2-yl)methylamino]but-2-enyl]carbamate
CID 107253108
tert-butyl N-[[4-[(S)-methylsulfinyl]phenyl]methyl]carbamate
CID 95974235
tert-butyl N-[3-[(1-ethylpyrrol-2-yl)methylamino]-2,2-difluoropropyl]carbamate
CID 107257566
tert-butyl N-[(1-benzyl-5-methylpyrrol-2-yl)methyl]carbamate
CID 102041016
tert-butyl N-(furan-3-ylmethyl)carbamate
CID 45091890
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
tert-butyl 2-[2-(dibenzylamino)-3-hydroxy-3-phenylpropyl]pyrrole-1-carboxylate
CID 69334638
tert-butyl N-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175381261

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrole-1-carboxylate (CID 140967024) is tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrole-1-carboxylate is CC(C)(C)OC(=O)NCc1cccn1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrole-1-carboxylate?
The InChIKey is PFDYQOSZQJNEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-14(2,3)20-12(18)16-10-11-8-7-9-17(11)13(19)21-15(4,5)6/h7-9H,10H2,1-6H3,(H,16,18).
What are the key properties of tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrole-1-carboxylate?
tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrole-1-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrole-1-carboxylate is sourced from PubChem (CID 140967024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).