tert-butyl 3-amino-2-cyclobutylpropanoate

C11H21NO2 — CID 134690680

IUPACtert-butyl 3-amino-2-cyclobutylpropanoate
SMILESCC(C)(C)OC(=O)C(CN)C1CCC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)14-10(13)9(7-12)8-5-4-6-8/h8-9H,4-7,12H2,1-3H3
InChIKeyIBSKPQSPTSJCFL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.70
Rot. Bonds3

About tert-butyl 3-amino-2-cyclobutylpropanoate

tert-butyl 3-amino-2-cyclobutylpropanoate (PubChem CID 134690680) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl 3-amino-2-cyclobutylpropanoate.

Molecular Properties

Compound Nametert-butyl 3-amino-2-cyclobutylpropanoate
PubChem CID134690680
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl 3-amino-2-cyclobutylpropanoate
SMILESCC(C)(C)OC(=O)C(CN)C1CCC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)14-10(13)9(7-12)8-5-4-6-8/h8-9H,4-7,12H2,1-3H3
InChIKeyIBSKPQSPTSJCFL-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-2-cyclobutylpropanoate?
The IUPAC name of tert-butyl 3-amino-2-cyclobutylpropanoate (CID 134690680) is tert-butyl 3-amino-2-cyclobutylpropanoate.
What is the SMILES notation for tert-butyl 3-amino-2-cyclobutylpropanoate?
The canonical SMILES for tert-butyl 3-amino-2-cyclobutylpropanoate is CC(C)(C)OC(=O)C(CN)C1CCC1.
What is the InChIKey of tert-butyl 3-amino-2-cyclobutylpropanoate?
The InChIKey is IBSKPQSPTSJCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)14-10(13)9(7-12)8-5-4-6-8/h8-9H,4-7,12H2,1-3H3.
What are the key properties of tert-butyl 3-amino-2-cyclobutylpropanoate?
tert-butyl 3-amino-2-cyclobutylpropanoate has a molecular weight of 199.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-2-cyclobutylpropanoate is sourced from PubChem (CID 134690680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).