tert-butyl N-[2-methyl-2-(3-oxocyclobutyl)propyl]carbamate

C13H23NO3 — CID 121208114

IUPACtert-butyl N-[2-methyl-2-(3-oxocyclobutyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(C)C1CC(=O)C1
InChIInChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-8-13(4,5)9-6-10(15)7-9/h9H,6-8H2,1-5H3,(H,14,16)
InChIKeyWZMMFXWYLRPLGM-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.52
Rot. Bonds3

About tert-butyl N-[2-methyl-2-(3-oxocyclobutyl)propyl]carbamate

tert-butyl N-[2-methyl-2-(3-oxocyclobutyl)propyl]carbamate (PubChem CID 121208114) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-2-(3-oxocyclobutyl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-2-(3-oxocyclobutyl)propyl]carbamate
PubChem CID121208114
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl N-[2-methyl-2-(3-oxocyclobutyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(C)C1CC(=O)C1
InChIInChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-8-13(4,5)9-6-10(15)7-9/h9H,6-8H2,1-5H3,(H,14,16)
InChIKeyWZMMFXWYLRPLGM-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methyl-3-(3-oxocyclobutyl)butanoate
CID 131864811
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tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
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tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
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tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate
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tert-butyl N-[2-hydroxy-2-(2-oxocyclohexyl)propyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-2-(3-oxocyclobutyl)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-2-(3-oxocyclobutyl)propyl]carbamate (CID 121208114) is tert-butyl N-[2-methyl-2-(3-oxocyclobutyl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-2-(3-oxocyclobutyl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-2-(3-oxocyclobutyl)propyl]carbamate is CC(C)(C)OC(=O)NCC(C)(C)C1CC(=O)C1.
What is the InChIKey of tert-butyl N-[2-methyl-2-(3-oxocyclobutyl)propyl]carbamate?
The InChIKey is WZMMFXWYLRPLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-8-13(4,5)9-6-10(15)7-9/h9H,6-8H2,1-5H3,(H,14,16).
What are the key properties of tert-butyl N-[2-methyl-2-(3-oxocyclobutyl)propyl]carbamate?
tert-butyl N-[2-methyl-2-(3-oxocyclobutyl)propyl]carbamate has a molecular weight of 241.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-2-(3-oxocyclobutyl)propyl]carbamate is sourced from PubChem (CID 121208114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).