tert-butyl (3R)-3-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate

C14H24N2O3 — CID 125041566

IUPACtert-butyl (3R)-3-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CNC(=O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-6-4-5-10(9-16)11-7-12(17)15-8-11/h10-11H,4-9H2,1-3H3,(H,15,17)/t10-,11-/m0/s1
InChIKeySJVFZHNKWXVHRZ-QWRGUYRKSA-N
MW268.36 g/mol
LogP1.77
Rot. Bonds1

About tert-butyl (3R)-3-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate

tert-butyl (3R)-3-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate (PubChem CID 125041566) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
PubChem CID125041566
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl (3R)-3-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CNC(=O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-6-4-5-10(9-16)11-7-12(17)15-8-11/h10-11H,4-9H2,1-3H3,(H,15,17)/t10-,11-/m0/s1
InChIKeySJVFZHNKWXVHRZ-QWRGUYRKSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
CID 97300200
tert-butyl 6-oxo-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-c]azepine-2-carboxylate
CID 58266862
tert-butyl 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 63788488
tert-butyl 1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 73171544
5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]piperidine-2-carboxylic acid
CID 165455278
tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
CID 95386953
tert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
CID 97298298
tert-butyl 3-(3-aminocyclohexyl)piperidine-1-carboxylate
CID 91798867
tert-butyl 2-oxo-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate
CID 83824814
tert-butyl 3-[(1S,2R)-2-aminocyclopropyl]piperidine-1-carboxylate
CID 165489343
tert-butyl (3aR,7aS)-2-oxo-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate
CID 129407483
tert-butyl 3-(2,4-dioxo-1H-pyridin-3-yl)piperidine-1-carboxylate
CID 175062409

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate (CID 125041566) is tert-butyl (3R)-3-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CNC(=O)C2)C1.
What is the InChIKey of tert-butyl (3R)-3-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate?
The InChIKey is SJVFZHNKWXVHRZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-6-4-5-10(9-16)11-7-12(17)15-8-11/h10-11H,4-9H2,1-3H3,(H,15,17)/t10-,11-/m0/s1.
What are the key properties of tert-butyl (3R)-3-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.77, 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-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 125041566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).