tert-butyl (2R)-5-oxo-2-[(2R)-4-oxopentan-2-yl]-2H-pyrrole-1-carboxylate

C14H21NO4 — CID 134964850

IUPACtert-butyl (2R)-5-oxo-2-[(2R)-4-oxopentan-2-yl]-2H-pyrrole-1-carboxylate
SMILESCC(=O)C[C@@H](C)[C@@H]1C=CC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO4/c1-9(8-10(2)16)11-6-7-12(17)15(11)13(18)19-14(3,4)5/h6-7,9,11H,8H2,1-5H3/t9-,11+/m1/s1
InChIKeySEMZPBDCQQRWGV-KOLCDFICSA-N
MW267.32 g/mol
LogP2.30
Rot. Bonds3

About tert-butyl (2R)-5-oxo-2-[(2R)-4-oxopentan-2-yl]-2H-pyrrole-1-carboxylate

tert-butyl (2R)-5-oxo-2-[(2R)-4-oxopentan-2-yl]-2H-pyrrole-1-carboxylate (PubChem CID 134964850) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is tert-butyl (2R)-5-oxo-2-[(2R)-4-oxopentan-2-yl]-2H-pyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-5-oxo-2-[(2R)-4-oxopentan-2-yl]-2H-pyrrole-1-carboxylate
PubChem CID134964850
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nametert-butyl (2R)-5-oxo-2-[(2R)-4-oxopentan-2-yl]-2H-pyrrole-1-carboxylate
SMILESCC(=O)C[C@@H](C)[C@@H]1C=CC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO4/c1-9(8-10(2)16)11-6-7-12(17)15(11)13(18)19-14(3,4)5/h6-7,9,11H,8H2,1-5H3/t9-,11+/m1/s1
InChIKeySEMZPBDCQQRWGV-KOLCDFICSA-N
XLogP2.30
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R)-5-oxo-2-[(2R)-4-oxopentan-2-yl]-2H-pyrrole-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (1S,5S)-7-oxo-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate
CID 11528673
t-Butyl (s)-2-isobutyl-5-oxo-2,5-dihydro-1h-pyrrole-1-carboxylate
CID 44472079
(R)-tert-butyl 2-methyl-5-oxo-2-((R)-2-oxoheptan-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 86278008
(R)-tert-butyl 2-methyl-5-oxo-2-((S)-2-oxoheptan-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 86278012
tert-butyl (2R)-5-oxo-2-[(2R)-4-oxooctan-2-yl]-2H-pyrrole-1-carboxylate
CID 134944108
tert-butyl (2R)-5-oxo-2-[(1R)-3-oxocyclopentyl]-2H-pyrrole-1-carboxylate
CID 134964878
Tert-butyl 2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]pyrrole-1-carboxylate
CID 68765962
Tert-butyl 5-methyl-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
CID 89103308
tert-butyl (3E)-3-ethylidene-2-oxo-4,6a-dihydro-3aH-cyclopenta[b]pyrrole-1-carboxylate
CID 118350200
tert-butyl 3-ethylidene-2-oxo-4,6a-dihydro-3aH-cyclopenta[b]pyrrole-1-carboxylate
CID 123377356
(1E,4S,10Z,13S)-5-methyl-4-[(Z)-pent-2-enyl]-5-azabicyclo[11.3.0]hexadeca-1,10,14-triene-6,16-dione
CID 130467672
tert-butyl 4-(2-methylpropanoyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 135165354

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-5-oxo-2-[(2R)-4-oxopentan-2-yl]-2H-pyrrole-1-carboxylate?
The IUPAC name of tert-butyl (2R)-5-oxo-2-[(2R)-4-oxopentan-2-yl]-2H-pyrrole-1-carboxylate (CID 134964850) is tert-butyl (2R)-5-oxo-2-[(2R)-4-oxopentan-2-yl]-2H-pyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-5-oxo-2-[(2R)-4-oxopentan-2-yl]-2H-pyrrole-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-5-oxo-2-[(2R)-4-oxopentan-2-yl]-2H-pyrrole-1-carboxylate is CC(=O)C[C@@H](C)[C@@H]1C=CC(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-5-oxo-2-[(2R)-4-oxopentan-2-yl]-2H-pyrrole-1-carboxylate?
The InChIKey is SEMZPBDCQQRWGV-KOLCDFICSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9(8-10(2)16)11-6-7-12(17)15(11)13(18)19-14(3,4)5/h6-7,9,11H,8H2,1-5H3/t9-,11+/m1/s1.
What are the key properties of tert-butyl (2R)-5-oxo-2-[(2R)-4-oxopentan-2-yl]-2H-pyrrole-1-carboxylate?
tert-butyl (2R)-5-oxo-2-[(2R)-4-oxopentan-2-yl]-2H-pyrrole-1-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-5-oxo-2-[(2R)-4-oxopentan-2-yl]-2H-pyrrole-1-carboxylate is sourced from PubChem (CID 134964850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).