tert-butyl N-amino-N-[(3R)-piperidine-3-carbonyl]carbamate

C11H21N3O3 — CID 71283950

IUPACtert-butyl N-amino-N-[(3R)-piperidine-3-carbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(N)C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14(12)9(15)8-5-4-6-13-7-8/h8,13H,4-7,12H2,1-3H3/t8-/m1/s1
InChIKeyGEGFFAGXPQNRIC-MRVPVSSYSA-N
MW243.31 g/mol
LogP0.62
Rot. Bonds1

About tert-butyl N-amino-N-[(3R)-piperidine-3-carbonyl]carbamate

tert-butyl N-amino-N-[(3R)-piperidine-3-carbonyl]carbamate (PubChem CID 71283950) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is tert-butyl N-amino-N-[(3R)-piperidine-3-carbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-amino-N-[(3R)-piperidine-3-carbonyl]carbamate
PubChem CID71283950
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nametert-butyl N-amino-N-[(3R)-piperidine-3-carbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(N)C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14(12)9(15)8-5-4-6-13-7-8/h8,13H,4-7,12H2,1-3H3/t8-/m1/s1
InChIKeyGEGFFAGXPQNRIC-MRVPVSSYSA-N
XLogP0.62
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-amino-N-[(3R)-piperidine-3-carbonyl]carbamate?
The IUPAC name of tert-butyl N-amino-N-[(3R)-piperidine-3-carbonyl]carbamate (CID 71283950) is tert-butyl N-amino-N-[(3R)-piperidine-3-carbonyl]carbamate.
What is the SMILES notation for tert-butyl N-amino-N-[(3R)-piperidine-3-carbonyl]carbamate?
The canonical SMILES for tert-butyl N-amino-N-[(3R)-piperidine-3-carbonyl]carbamate is CC(C)(C)OC(=O)N(N)C(=O)[C@@H]1CCCNC1.
What is the InChIKey of tert-butyl N-amino-N-[(3R)-piperidine-3-carbonyl]carbamate?
The InChIKey is GEGFFAGXPQNRIC-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14(12)9(15)8-5-4-6-13-7-8/h8,13H,4-7,12H2,1-3H3/t8-/m1/s1.
What are the key properties of tert-butyl N-amino-N-[(3R)-piperidine-3-carbonyl]carbamate?
tert-butyl N-amino-N-[(3R)-piperidine-3-carbonyl]carbamate has a molecular weight of 243.31 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-amino-N-[(3R)-piperidine-3-carbonyl]carbamate is sourced from PubChem (CID 71283950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).