tert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate

C15H27NO3 — CID 81463041

IUPACtert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC1C2CCCOC2C1(C)C
InChIInChI=1S/C15H27NO3/c1-14(2,3)19-11(17)9-16-12-10-7-6-8-18-13(10)15(12,4)5/h10,12-13,16H,6-9H2,1-5H3
InChIKeyJNARMZKXBBOBDT-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.12
Rot. Bonds3

About tert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate

tert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate (PubChem CID 81463041) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate
PubChem CID81463041
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC1C2CCCOC2C1(C)C
InChIInChI=1S/C15H27NO3/c1-14(2,3)19-11(17)9-16-12-10-7-6-8-18-13(10)15(12,4)5/h10,12-13,16H,6-9H2,1-5H3
InChIKeyJNARMZKXBBOBDT-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[1-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2-methylpropan-2-yl]carbamate
CID 103921711
tert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate
CID 107237597
N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 113352197
2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-(2-methylpropyl)acetamide
CID 112568428
tert-butyl N-[1-[[(1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-2-methylpropan-2-yl]carbamate
CID 99851463
3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-dimethylpropanamide
CID 64864982
8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 79352806
tert-butyl 3-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 104538167
tert-butyl 2-[(2-methyloxolan-3-yl)amino]acetate
CID 82718888
2-amino-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-methoxypropanamide;hydrochloride
CID 120990883
7,7-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 79558104
(2R)-2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]propan-1-ol
CID 114987247

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate?
The IUPAC name of tert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate (CID 81463041) is tert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate is CC(C)(C)OC(=O)CNC1C2CCCOC2C1(C)C.
What is the InChIKey of tert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate?
The InChIKey is JNARMZKXBBOBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-14(2,3)19-11(17)9-16-12-10-7-6-8-18-13(10)15(12,4)5/h10,12-13,16H,6-9H2,1-5H3.
What are the key properties of tert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate?
tert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate has a molecular weight of 269.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate is sourced from PubChem (CID 81463041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).