tert-butyl N-[(3R)-2,6-dioxopiperidin-3-yl]carbamate

C10H16N2O4 — CID 34178804

IUPACtert-butyl N-[(3R)-2,6-dioxopiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC(=O)NC1=O
InChIInChI=1S/C10H16N2O4/c1-10(2,3)16-9(15)11-6-4-5-7(13)12-8(6)14/h6H,4-5H2,1-3H3,(H,11,15)(H,12,13,14)/t6-/m1/s1
InChIKeyTUGRLMXVKASPTN-ZCFIWIBFSA-N
MW228.25 g/mol
LogP0.32
Rot. Bonds1

About tert-butyl N-[(3R)-2,6-dioxopiperidin-3-yl]carbamate

tert-butyl N-[(3R)-2,6-dioxopiperidin-3-yl]carbamate (PubChem CID 34178804) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is tert-butyl N-[(3R)-2,6-dioxopiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-2,6-dioxopiperidin-3-yl]carbamate
PubChem CID34178804
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Nametert-butyl N-[(3R)-2,6-dioxopiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC(=O)NC1=O
InChIInChI=1S/C10H16N2O4/c1-10(2,3)16-9(15)11-6-4-5-7(13)12-8(6)14/h6H,4-5H2,1-3H3,(H,11,15)(H,12,13,14)/t6-/m1/s1
InChIKeyTUGRLMXVKASPTN-ZCFIWIBFSA-N
XLogP0.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-2,6-dioxopiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-2,6-dioxopiperidin-3-yl]carbamate (CID 34178804) is tert-butyl N-[(3R)-2,6-dioxopiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-2,6-dioxopiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-2,6-dioxopiperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCC(=O)NC1=O.
What is the InChIKey of tert-butyl N-[(3R)-2,6-dioxopiperidin-3-yl]carbamate?
The InChIKey is TUGRLMXVKASPTN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-10(2,3)16-9(15)11-6-4-5-7(13)12-8(6)14/h6H,4-5H2,1-3H3,(H,11,15)(H,12,13,14)/t6-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-2,6-dioxopiperidin-3-yl]carbamate?
tert-butyl N-[(3R)-2,6-dioxopiperidin-3-yl]carbamate has a molecular weight of 228.25 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-2,6-dioxopiperidin-3-yl]carbamate is sourced from PubChem (CID 34178804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).