[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl acetate

C12H21NO4 — CID 66764545

IUPAC[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl acetate
SMILESCC(=O)OCC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO4/c1-8(14)16-7-9-5-10(6-9)13-11(15)17-12(2,3)4/h9-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyNGQPFVXRKWMLHR-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.85
Rot. Bonds3

About [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl acetate

[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl acetate (PubChem CID 66764545) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl acetate.

Molecular Properties

Compound Name[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl acetate
PubChem CID66764545
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl acetate
SMILESCC(=O)OCC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO4/c1-8(14)16-7-9-5-10(6-9)13-11(15)17-12(2,3)4/h9-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyNGQPFVXRKWMLHR-UHFFFAOYSA-N
XLogP1.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl acetate 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 [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl acetate?
The IUPAC name of [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl acetate (CID 66764545) is [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl acetate.
What is the SMILES notation for [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl acetate?
The canonical SMILES for [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl acetate is CC(=O)OCC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl acetate?
The InChIKey is NGQPFVXRKWMLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8(14)16-7-9-5-10(6-9)13-11(15)17-12(2,3)4/h9-10H,5-7H2,1-4H3,(H,13,15).
What are the key properties of [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl acetate?
[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl acetate has a molecular weight of 243.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl acetate is sourced from PubChem (CID 66764545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).