tert-butyl 2-(cyclobutene-1-carbonylamino)acetate

C11H17NO3 — CID 24802881

IUPACtert-butyl 2-(cyclobutene-1-carbonylamino)acetate
SMILESCC(C)(C)OC(=O)CNC(=O)C1=CCC1
InChIInChI=1S/C11H17NO3/c1-11(2,3)15-9(13)7-12-10(14)8-5-4-6-8/h5H,4,6-7H2,1-3H3,(H,12,14)
InChIKeyXAHPVMQPQAVBEW-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.16
Rot. Bonds3

About tert-butyl 2-(cyclobutene-1-carbonylamino)acetate

tert-butyl 2-(cyclobutene-1-carbonylamino)acetate (PubChem CID 24802881) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl 2-(cyclobutene-1-carbonylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(cyclobutene-1-carbonylamino)acetate
PubChem CID24802881
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nametert-butyl 2-(cyclobutene-1-carbonylamino)acetate
SMILESCC(C)(C)OC(=O)CNC(=O)C1=CCC1
InChIInChI=1S/C11H17NO3/c1-11(2,3)15-9(13)7-12-10(14)8-5-4-6-8/h5H,4,6-7H2,1-3H3,(H,12,14)
InChIKeyXAHPVMQPQAVBEW-UHFFFAOYSA-N
XLogP1.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(cyclobutene-1-carbonylamino)acetate?
The IUPAC name of tert-butyl 2-(cyclobutene-1-carbonylamino)acetate (CID 24802881) is tert-butyl 2-(cyclobutene-1-carbonylamino)acetate.
What is the SMILES notation for tert-butyl 2-(cyclobutene-1-carbonylamino)acetate?
The canonical SMILES for tert-butyl 2-(cyclobutene-1-carbonylamino)acetate is CC(C)(C)OC(=O)CNC(=O)C1=CCC1.
What is the InChIKey of tert-butyl 2-(cyclobutene-1-carbonylamino)acetate?
The InChIKey is XAHPVMQPQAVBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(2,3)15-9(13)7-12-10(14)8-5-4-6-8/h5H,4,6-7H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl 2-(cyclobutene-1-carbonylamino)acetate?
tert-butyl 2-(cyclobutene-1-carbonylamino)acetate has a molecular weight of 211.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(cyclobutene-1-carbonylamino)acetate is sourced from PubChem (CID 24802881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).