tert-butyl N-[2-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate

C13H25FN2O2 — CID 70328210

IUPACtert-butyl N-[2-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate
SMILESCN(CC(N)CC1CC(F)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25FN2O2/c1-13(2,3)18-12(17)16(4)8-11(15)7-9-5-10(14)6-9/h9-11H,5-8,15H2,1-4H3
InChIKeyCIBVTHGVDFNQQY-UHFFFAOYSA-N
MW260.35 g/mol
LogP2.32
Rot. Bonds4

About tert-butyl N-[2-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate

tert-butyl N-[2-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate (PubChem CID 70328210) has the molecular formula C13H25FN2O2 and a molecular weight of 260.35 g/mol. Its IUPAC name is tert-butyl N-[2-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate
PubChem CID70328210
Molecular FormulaC13H25FN2O2
Molecular Weight260.35 g/mol
Exact Mass260.19
IUPAC Nametert-butyl N-[2-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate
SMILESCN(CC(N)CC1CC(F)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25FN2O2/c1-13(2,3)18-12(17)16(4)8-11(15)7-9-5-10(14)6-9/h9-11H,5-8,15H2,1-4H3
InChIKeyCIBVTHGVDFNQQY-UHFFFAOYSA-N
XLogP2.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate 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-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate (CID 70328210) is tert-butyl N-[2-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate is CN(CC(N)CC1CC(F)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate?
The InChIKey is CIBVTHGVDFNQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O2/c1-13(2,3)18-12(17)16(4)8-11(15)7-9-5-10(14)6-9/h9-11H,5-8,15H2,1-4H3.
What are the key properties of tert-butyl N-[2-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate?
tert-butyl N-[2-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate has a molecular weight of 260.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate is sourced from PubChem (CID 70328210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).