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

C17H27NO4 — CID 134944108

IUPACtert-butyl (2R)-5-oxo-2-[(2R)-4-oxooctan-2-yl]-2H-pyrrole-1-carboxylate
SMILESCCCCC(=O)C[C@@H](C)[C@@H]1C=CC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H27NO4/c1-6-7-8-13(19)11-12(2)14-9-10-15(20)18(14)16(21)22-17(3,4)5/h9-10,12,14H,6-8,11H2,1-5H3/t12-,14+/m1/s1
InChIKeyZUNXTFKLEWWNHQ-OCCSQVGLSA-N
MW309.41 g/mol
LogP3.47
Rot. Bonds6

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

tert-butyl (2R)-5-oxo-2-[(2R)-4-oxooctan-2-yl]-2H-pyrrole-1-carboxylate (PubChem CID 134944108) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl (2R)-5-oxo-2-[(2R)-4-oxooctan-2-yl]-2H-pyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-5-oxo-2-[(2R)-4-oxooctan-2-yl]-2H-pyrrole-1-carboxylate
PubChem CID134944108
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Nametert-butyl (2R)-5-oxo-2-[(2R)-4-oxooctan-2-yl]-2H-pyrrole-1-carboxylate
SMILESCCCCC(=O)C[C@@H](C)[C@@H]1C=CC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H27NO4/c1-6-7-8-13(19)11-12(2)14-9-10-15(20)18(14)16(21)22-17(3,4)5/h9-10,12,14H,6-8,11H2,1-5H3/t12-,14+/m1/s1
InChIKeyZUNXTFKLEWWNHQ-OCCSQVGLSA-N
XLogP3.47
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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-oxopentan-2-yl]-2H-pyrrole-1-carboxylate
CID 134964850
tert-butyl (2R)-5-oxo-2-[(1R)-3-oxocyclopentyl]-2H-pyrrole-1-carboxylate
CID 134964878
(1E,4S,10Z,13S)-5-methyl-4-pentyl-5-azabicyclo[11.3.0]hexadeca-1,10,14-triene-6,16-dione
CID 130467678
tert-butyl N-butyl-N-[1-(6-methyl-2-oxocyclohex-3-en-1-yl)propan-2-yl]carbamate
CID 143298046
tert-butyl (2S)-2-[(2S)-2-methoxy-2-methylpentyl]-5-oxo-2H-pyrrole-1-carboxylate
CID 163755756
tert-butyl (3E,5S)-3-ethylidene-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate
CID 46176900
tert-butyl (2R)-2-[(1R)-cyclopent-2-en-1-yl]-5-oxo-2H-pyrrole-1-carboxylate
CID 101942295
tert-butyl (2R)-2-[(1S)-cyclopent-2-en-1-yl]-5-oxo-2H-pyrrole-1-carboxylate
CID 101942296
tert-butyl 5-oxo-2-[1-(3-oxocyclohexen-1-yl)propan-2-yl]-2H-pyrrole-1-carboxylate
CID 122207750
tert-butyl 5-oxo-2-[1-(3-oxocyclohexen-1-yl)pentan-2-yl]-2H-pyrrole-1-carboxylate
CID 122207751

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-5-oxo-2-[(2R)-4-oxooctan-2-yl]-2H-pyrrole-1-carboxylate?
The IUPAC name of tert-butyl (2R)-5-oxo-2-[(2R)-4-oxooctan-2-yl]-2H-pyrrole-1-carboxylate (CID 134944108) is tert-butyl (2R)-5-oxo-2-[(2R)-4-oxooctan-2-yl]-2H-pyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-5-oxo-2-[(2R)-4-oxooctan-2-yl]-2H-pyrrole-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-5-oxo-2-[(2R)-4-oxooctan-2-yl]-2H-pyrrole-1-carboxylate is CCCCC(=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-oxooctan-2-yl]-2H-pyrrole-1-carboxylate?
The InChIKey is ZUNXTFKLEWWNHQ-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H27NO4/c1-6-7-8-13(19)11-12(2)14-9-10-15(20)18(14)16(21)22-17(3,4)5/h9-10,12,14H,6-8,11H2,1-5H3/t12-,14+/m1/s1.
What are the key properties of tert-butyl (2R)-5-oxo-2-[(2R)-4-oxooctan-2-yl]-2H-pyrrole-1-carboxylate?
tert-butyl (2R)-5-oxo-2-[(2R)-4-oxooctan-2-yl]-2H-pyrrole-1-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 3.47, 6 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-oxooctan-2-yl]-2H-pyrrole-1-carboxylate is sourced from PubChem (CID 134944108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).