tert-butyl N-[(2R)-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate

C15H26N2O3 — CID 86601531

IUPACtert-butyl N-[(2R)-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC=CCC1
InChIInChI=1S/C15H26N2O3/c1-11(2)12(16-14(19)20-15(3,4)5)13(18)17-9-7-6-8-10-17/h6-7,11-12H,8-10H2,1-5H3,(H,16,19)/t12-/m1/s1
InChIKeyIWTVAHOSQAMMQC-GFCCVEGCSA-N
MW282.38 g/mol
LogP2.32
Rot. Bonds3

About tert-butyl N-[(2R)-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2R)-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 86601531) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID86601531
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl N-[(2R)-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC=CCC1
InChIInChI=1S/C15H26N2O3/c1-11(2)12(16-14(19)20-15(3,4)5)13(18)17-9-7-6-8-10-17/h6-7,11-12H,8-10H2,1-5H3,(H,16,19)/t12-/m1/s1
InChIKeyIWTVAHOSQAMMQC-GFCCVEGCSA-N
XLogP2.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(2R)-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate (CID 86601531) is tert-butyl N-[(2R)-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC=CCC1.
What is the InChIKey of tert-butyl N-[(2R)-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is IWTVAHOSQAMMQC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(2)12(16-14(19)20-15(3,4)5)13(18)17-9-7-6-8-10-17/h6-7,11-12H,8-10H2,1-5H3,(H,16,19)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 282.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 86601531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).