tert-butyl 1-(aminomethyl)cyclobutane-1-carboxylate

C10H19NO2 — CID 66797588

IUPACtert-butyl 1-(aminomethyl)cyclobutane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(CN)CCC1
InChIInChI=1S/C10H19NO2/c1-9(2,3)13-8(12)10(7-11)5-4-6-10/h4-7,11H2,1-3H3
InChIKeyBCJQZVQFDKFWJE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds2

About tert-butyl 1-(aminomethyl)cyclobutane-1-carboxylate

tert-butyl 1-(aminomethyl)cyclobutane-1-carboxylate (PubChem CID 66797588) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl 1-(aminomethyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(aminomethyl)cyclobutane-1-carboxylate
PubChem CID66797588
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl 1-(aminomethyl)cyclobutane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(CN)CCC1
InChIInChI=1S/C10H19NO2/c1-9(2,3)13-8(12)10(7-11)5-4-6-10/h4-7,11H2,1-3H3
InChIKeyBCJQZVQFDKFWJE-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(aminomethyl)cyclobutane-1-carboxylate?
The IUPAC name of tert-butyl 1-(aminomethyl)cyclobutane-1-carboxylate (CID 66797588) is tert-butyl 1-(aminomethyl)cyclobutane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-(aminomethyl)cyclobutane-1-carboxylate?
The canonical SMILES for tert-butyl 1-(aminomethyl)cyclobutane-1-carboxylate is CC(C)(C)OC(=O)C1(CN)CCC1.
What is the InChIKey of tert-butyl 1-(aminomethyl)cyclobutane-1-carboxylate?
The InChIKey is BCJQZVQFDKFWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2,3)13-8(12)10(7-11)5-4-6-10/h4-7,11H2,1-3H3.
What are the key properties of tert-butyl 1-(aminomethyl)cyclobutane-1-carboxylate?
tert-butyl 1-(aminomethyl)cyclobutane-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(aminomethyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 66797588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).