tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxo-1-bicyclo[3.1.0]hexanyl)carbamate

C16H25NO5 — CID 142224208

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxo-1-bicyclo[3.1.0]hexanyl)carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C12CC(=O)CC1C2
InChIInChI=1S/C16H25NO5/c1-14(2,3)21-12(19)17(13(20)22-15(4,5)6)16-8-10(16)7-11(18)9-16/h10H,7-9H2,1-6H3
InChIKeyNOWCNKHZKUXZAI-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.28
Rot. Bonds1

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxo-1-bicyclo[3.1.0]hexanyl)carbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxo-1-bicyclo[3.1.0]hexanyl)carbamate (PubChem CID 142224208) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxo-1-bicyclo[3.1.0]hexanyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxo-1-bicyclo[3.1.0]hexanyl)carbamate
PubChem CID142224208
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxo-1-bicyclo[3.1.0]hexanyl)carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C12CC(=O)CC1C2
InChIInChI=1S/C16H25NO5/c1-14(2,3)21-12(19)17(13(20)22-15(4,5)6)16-8-10(16)7-11(18)9-16/h10H,7-9H2,1-6H3
InChIKeyNOWCNKHZKUXZAI-UHFFFAOYSA-N
XLogP3.28
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxo-1-bicyclo[3.1.0]hexanyl)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-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxo-1-bicyclo[3.1.0]hexanyl)carbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxo-1-bicyclo[3.1.0]hexanyl)carbamate (CID 142224208) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxo-1-bicyclo[3.1.0]hexanyl)carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxo-1-bicyclo[3.1.0]hexanyl)carbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxo-1-bicyclo[3.1.0]hexanyl)carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C12CC(=O)CC1C2.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxo-1-bicyclo[3.1.0]hexanyl)carbamate?
The InChIKey is NOWCNKHZKUXZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5/c1-14(2,3)21-12(19)17(13(20)22-15(4,5)6)16-8-10(16)7-11(18)9-16/h10H,7-9H2,1-6H3.
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxo-1-bicyclo[3.1.0]hexanyl)carbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxo-1-bicyclo[3.1.0]hexanyl)carbamate has a molecular weight of 311.38 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxo-1-bicyclo[3.1.0]hexanyl)carbamate is sourced from PubChem (CID 142224208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).