tert-butyl (3S)-3-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate

C15H26N2O3 — CID 138622059

IUPACtert-butyl (3S)-3-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
SMILESC[C@H]1CCN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C15H26N2O3/c1-11-7-9-17(13(11)18)12-6-5-8-16(10-12)14(19)20-15(2,3)4/h11-12H,5-10H2,1-4H3/t11-,12-/m0/s1
InChIKeyGWRNXLJBFJCYOR-RYUDHWBXSA-N
MW282.38 g/mol
LogP2.25
Rot. Bonds1

About tert-butyl (3S)-3-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate

tert-butyl (3S)-3-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate (PubChem CID 138622059) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
PubChem CID138622059
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl (3S)-3-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
SMILESC[C@H]1CCN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C15H26N2O3/c1-11-7-9-17(13(11)18)12-6-5-8-16(10-12)14(19)20-15(2,3)4/h11-12H,5-10H2,1-4H3/t11-,12-/m0/s1
InChIKeyGWRNXLJBFJCYOR-RYUDHWBXSA-N
XLogP2.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate (CID 138622059) is tert-butyl (3S)-3-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate is C[C@H]1CCN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O.
What is the InChIKey of tert-butyl (3S)-3-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate?
The InChIKey is GWRNXLJBFJCYOR-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-7-9-17(13(11)18)12-6-5-8-16(10-12)14(19)20-15(2,3)4/h11-12H,5-10H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate?
tert-butyl (3S)-3-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 138622059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).