tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate

C17H22N2O3 — CID 98060720

IUPACtert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H]([C@@H]2C(=O)Nc3ccccc32)C1
InChIInChI=1S/C17H22N2O3/c1-17(2,3)22-16(21)19-9-8-11(10-19)14-12-6-4-5-7-13(12)18-15(14)20/h4-7,11,14H,8-10H2,1-3H3,(H,18,20)/t11-,14-/m0/s1
InChIKeyKRXBVSHIOQCWIO-FZMZJTMJSA-N
MW302.37 g/mol
LogP2.98
Rot. Bonds1

About tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate (PubChem CID 98060720) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate
PubChem CID98060720
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nametert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H]([C@@H]2C(=O)Nc3ccccc32)C1
InChIInChI=1S/C17H22N2O3/c1-17(2,3)22-16(21)19-9-8-11(10-19)14-12-6-4-5-7-13(12)18-15(14)20/h4-7,11,14H,8-10H2,1-3H3,(H,18,20)/t11-,14-/m0/s1
InChIKeyKRXBVSHIOQCWIO-FZMZJTMJSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate
CID 166638581
ethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969908
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 110710761
3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154747405
tert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate
CID 166132108
tert-butyl 3-(2,4-dioxo-1H-pyridin-3-yl)piperidine-1-carboxylate
CID 175062409
tert-butyl (3S,4R)-3-hydroxy-4-(2-methylphenyl)piperidine-1-carboxylate
CID 95566698
tert-butyl (1S,6R)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124704176
tert-butyl (4aR,8aS)-6,7-dihydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 127262569
tert-butyl (4aS,6S,7R,8aR)-6,7-dihydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 86338160
tert-butyl 3-(anilinomethyl)pyrrolidine-1-carboxylate
CID 85223002
tert-butyl (3R)-3-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]piperidine-1-carboxylate
CID 124907780

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate (CID 98060720) is tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2C(=O)Nc3ccccc32)C1.
What is the InChIKey of tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate?
The InChIKey is KRXBVSHIOQCWIO-FZMZJTMJSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-17(2,3)22-16(21)19-9-8-11(10-19)14-12-6-4-5-7-13(12)18-15(14)20/h4-7,11,14H,8-10H2,1-3H3,(H,18,20)/t11-,14-/m0/s1.
What are the key properties of tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 98060720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).