tert-butyl (3R)-1-methyl-2-oxopiperidine-3-carboxylate

C11H19NO3 — CID 125474939

IUPACtert-butyl (3R)-1-methyl-2-oxopiperidine-3-carboxylate
SMILESCN1CCC[C@@H](C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(14)8-6-5-7-12(4)9(8)13/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyKCRRZHSBBLVNPC-MRVPVSSYSA-N
MW213.28 g/mol
LogP1.20
Rot. Bonds1

About tert-butyl (3R)-1-methyl-2-oxopiperidine-3-carboxylate

tert-butyl (3R)-1-methyl-2-oxopiperidine-3-carboxylate (PubChem CID 125474939) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl (3R)-1-methyl-2-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-1-methyl-2-oxopiperidine-3-carboxylate
PubChem CID125474939
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl (3R)-1-methyl-2-oxopiperidine-3-carboxylate
SMILESCN1CCC[C@@H](C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(14)8-6-5-7-12(4)9(8)13/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyKCRRZHSBBLVNPC-MRVPVSSYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-oxocyclopentane-1-carboxylate
CID 11052317
tert-butyl N-[(1-methyl-2-oxopiperidin-3-yl)amino]carbamate
CID 174587021
tert-butyl 1-methyl-2,5-dioxopyrrolidine-3-carboxylate
CID 46183778
tert-butyl 1-methyl-4,5-dioxopyrrolidine-3-carboxylate
CID 178132419
tert-butyl 1-hydroxypyrrolidine-2-carboxylate
CID 22666904
tert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate
CID 107358215
tert-butyl (2R)-1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate
CID 115537683
tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
CID 68911736
tert-butyl (1R)-2-oxocyclohex-3-ene-1-carboxylate
CID 129409153
tert-butyl (4S,7S)-7-amino-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate
CID 11543750
tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate
CID 10846260
tert-butyl 1-(4-methylphenyl)sulfonyl-2-oxopyrrolidine-3-carboxylate
CID 11580904

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-1-methyl-2-oxopiperidine-3-carboxylate?
The IUPAC name of tert-butyl (3R)-1-methyl-2-oxopiperidine-3-carboxylate (CID 125474939) is tert-butyl (3R)-1-methyl-2-oxopiperidine-3-carboxylate.
What is the SMILES notation for tert-butyl (3R)-1-methyl-2-oxopiperidine-3-carboxylate?
The canonical SMILES for tert-butyl (3R)-1-methyl-2-oxopiperidine-3-carboxylate is CN1CCC[C@@H](C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl (3R)-1-methyl-2-oxopiperidine-3-carboxylate?
The InChIKey is KCRRZHSBBLVNPC-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)8-6-5-7-12(4)9(8)13/h8H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of tert-butyl (3R)-1-methyl-2-oxopiperidine-3-carboxylate?
tert-butyl (3R)-1-methyl-2-oxopiperidine-3-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-1-methyl-2-oxopiperidine-3-carboxylate is sourced from PubChem (CID 125474939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).